Organofluorides

Organic compounds that contain one or more fluorine atoms.

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Perfluorohexanes, 98+%, Thermo Scientific Chemicals

CAS: 355-42-0 Molecular Formula: C6F14 Molecular Weight (g/mol): 338.044 MDL Number: MFCD00000437 InChI Key: ZJIJAJXFLBMLCK-UHFFFAOYSA-N Synonym: perfluorohexane,perflexane,tetradecafluorohexane,perfluoro-n-hexane,flutec pp1,hexane, tetradecafluoro,n-tetradecafluorohexane,fluorinert fc72,perfluorohexanes,perflexane usan:inn PubChem CID: 9639 ChEBI: CHEBI:39427 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

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PubChem CID	9639
CAS	355-42-0
Molecular Weight (g/mol)	338.044
ChEBI	CHEBI:39427
MDL Number	MFCD00000437
SMILES	C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
Synonym	perfluorohexane,perflexane,tetradecafluorohexane,perfluoro-n-hexane,flutec pp1,hexane, tetradecafluoro,n-tetradecafluorohexane,fluorinert fc72,perfluorohexanes,perflexane usan:inn
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
InChI Key	ZJIJAJXFLBMLCK-UHFFFAOYSA-N
Molecular Formula	C6F14

Trans-4-(Trifluoromethyl)cyclohexanecarboxylic acid, 98%

CAS: 133261-33-3 Molecular Formula: C₈H₁₁F₃O₂ Molecular Weight (g/mol): 196.17 MDL Number: MFCD09037363 InChI Key: LMEAZIIFLVDISW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexanecarboxylic acid,cis-4-trifluoromethyl cyclohexanecarboxylic acid,4-trifluoromethyl cyclohexane-1-carboxylic acid,1r,4r-4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexane-carboxylicacid,trans-4-trifluoromethyl cyclohexane-carboxylic acid,trans-4-trifluoromethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-cyclohexanecarboxylic acid PubChem CID: 2779182 IUPAC Name: 4-(trifluoromethyl)cyclohexane-1-carboxylic acid SMILES: C1CC(CCC1C(=O)O)C(F)(F)F

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Specifications

PubChem CID	2779182
CAS	133261-33-3
Molecular Weight (g/mol)	196.17
MDL Number	MFCD09037363
SMILES	C1CC(CCC1C(=O)O)C(F)(F)F
Synonym	4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexanecarboxylic acid,cis-4-trifluoromethyl cyclohexanecarboxylic acid,4-trifluoromethyl cyclohexane-1-carboxylic acid,1r,4r-4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexane-carboxylicacid,trans-4-trifluoromethyl cyclohexane-carboxylic acid,trans-4-trifluoromethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-cyclohexanecarboxylic acid
IUPAC Name	4-(trifluoromethyl)cyclohexane-1-carboxylic acid
InChI Key	LMEAZIIFLVDISW-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁F₃O₂

2-(Trifluoromethyl)acrylic acid, 98%

CAS: 381-98-6 Molecular Formula: C4H2F3O2 Molecular Weight (g/mol): 139.05 MDL Number: MFCD00042424 InChI Key: VLSRKCIBHNJFHA-UHFFFAOYSA-M Synonym: 2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654 PubChem CID: 587694 IUPAC Name: 2-(trifluoromethyl)prop-2-enoic acid SMILES: [O-]C(=O)C(=C)C(F)(F)F

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Specifications

PubChem CID	587694
CAS	381-98-6
Molecular Weight (g/mol)	139.05
MDL Number	MFCD00042424
SMILES	[O-]C(=O)C(=C)C(F)(F)F
Synonym	2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654
IUPAC Name	2-(trifluoromethyl)prop-2-enoic acid
InChI Key	VLSRKCIBHNJFHA-UHFFFAOYSA-M
Molecular Formula	C4H2F3O2

1H,1H-Undecafluorohexylamine 97.0+%, TCI America™

CAS: 355-34-0 Molecular Formula: C6H4F11N Molecular Weight (g/mol): 299.087 MDL Number: MFCD09025929 InChI Key: FDIHRNYGDZQEAV-UHFFFAOYSA-N Synonym: 1H,1H-Perfluorohexylamine PubChem CID: 21923864 IUPAC Name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N

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Specifications

PubChem CID	21923864
CAS	355-34-0
Molecular Weight (g/mol)	299.087
MDL Number	MFCD09025929
SMILES	C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Synonym	1H,1H-Perfluorohexylamine
IUPAC Name	2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine
InChI Key	FDIHRNYGDZQEAV-UHFFFAOYSA-N
Molecular Formula	C6H4F11N

2,2,2-Trifluoroethylamine, 99.5%

CAS: 753-90-2 Molecular Formula: C₂H₄F₃N Molecular Weight (g/mol): 99.06 MDL Number: MFCD00008132 InChI Key: KIPSRYDSZQRPEA-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethylamine,trifluoroethylamine,ethanamine, 2,2,2-trifluoro,2,2,2-trifluoroethan-1-amine,2-amino-1,1,1-trifluoroethane,ethylamine, 2,2,2-trifluoro,2,2,2-trifluoro-ethylamine,2,2,2-trifluorethanamin,trifluoro ethylamine,trifluoroethyl amine PubChem CID: 9773 IUPAC Name: 2,2,2-trifluoroethanamine SMILES: C(C(F)(F)F)N

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Specifications

PubChem CID	9773
CAS	753-90-2
Molecular Weight (g/mol)	99.06
MDL Number	MFCD00008132
SMILES	C(C(F)(F)F)N
Synonym	2,2,2-trifluoroethylamine,trifluoroethylamine,ethanamine, 2,2,2-trifluoro,2,2,2-trifluoroethan-1-amine,2-amino-1,1,1-trifluoroethane,ethylamine, 2,2,2-trifluoro,2,2,2-trifluoro-ethylamine,2,2,2-trifluorethanamin,trifluoro ethylamine,trifluoroethyl amine
IUPAC Name	2,2,2-trifluoroethanamine
InChI Key	KIPSRYDSZQRPEA-UHFFFAOYSA-N
Molecular Formula	C₂H₄F₃N

6-(Trifluoromethyl)indole, 97%

CAS: 13544-43-9 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.149 MDL Number: MFCD00272316 InChI Key: BPYBYPREOVLFED-UHFFFAOYSA-N Synonym: 6-trifluoromethyl indole,6-trifluoromethylindole,6-trifluoromethyl-1h-indole,1h-indole, 6-trifluoromethyl,pubchem1713,acmc-1bscm,intermediates-zcf02044,6-trifluoromethyl-indole,ksc910g4n PubChem CID: 2777523 IUPAC Name: 6-(trifluoromethyl)-1H-indole SMILES: C1=CC(=CC2=C1C=CN2)C(F)(F)F

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Specifications

PubChem CID	2777523
CAS	13544-43-9
Molecular Weight (g/mol)	185.149
MDL Number	MFCD00272316
SMILES	C1=CC(=CC2=C1C=CN2)C(F)(F)F
Synonym	6-trifluoromethyl indole,6-trifluoromethylindole,6-trifluoromethyl-1h-indole,1h-indole, 6-trifluoromethyl,pubchem1713,acmc-1bscm,intermediates-zcf02044,6-trifluoromethyl-indole,ksc910g4n
IUPAC Name	6-(trifluoromethyl)-1H-indole
InChI Key	BPYBYPREOVLFED-UHFFFAOYSA-N
Molecular Formula	C9H6F3N

Bis(2,2,2-trifluoroethyl) phosphite, tech. 90%

CAS: 92466-70-1 Molecular Formula: C4H4F6O3P+ Molecular Weight (g/mol): 245.037 MDL Number: MFCD00063314 InChI Key: IMDCVAFSSZPRRM-UHFFFAOYSA-N Synonym: bis 2,2,2-trifluoroethyl phosphonate,phosphonic acid bis 2,2,2-trifluoroethyl ester,oxo-bis 2,2,2-trifluoroethoxy phosphanium,phosphonic acid, bis 2,2,2-trifluoroethyl ester,bis trifluoroethyl phosphonate,bis 2,2,2-trifluoroethyl phosphite,bis 2,2,2-trifluoroethyl hydrogen phosphite,oxobis 2,2,2-trifluoroethoxy-??-phosphanylium,bis 2,2,2-trifluoroethyl phosphite, technical grade PubChem CID: 6386648 IUPAC Name: oxo-bis(2,2,2-trifluoroethoxy)phosphanium SMILES: C(C(F)(F)F)O[P+](=O)OCC(F)(F)F

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Specifications

PubChem CID	6386648
CAS	92466-70-1
Molecular Weight (g/mol)	245.037
MDL Number	MFCD00063314
SMILES	C(C(F)(F)F)O[P+](=O)OCC(F)(F)F
Synonym	bis 2,2,2-trifluoroethyl phosphonate,phosphonic acid bis 2,2,2-trifluoroethyl ester,oxo-bis 2,2,2-trifluoroethoxy phosphanium,phosphonic acid, bis 2,2,2-trifluoroethyl ester,bis trifluoroethyl phosphonate,bis 2,2,2-trifluoroethyl phosphite,bis 2,2,2-trifluoroethyl hydrogen phosphite,oxobis 2,2,2-trifluoroethoxy-??-phosphanylium,bis 2,2,2-trifluoroethyl phosphite, technical grade
IUPAC Name	oxo-bis(2,2,2-trifluoroethoxy)phosphanium
InChI Key	IMDCVAFSSZPRRM-UHFFFAOYSA-N
Molecular Formula	C4H4F6O3P+

2-(Trifluoromethyl)pyrazine, 97%, Thermo Scientific™

CAS: 61655-67-2 Molecular Formula: C₅H₃F₃N₂ Molecular Weight (g/mol): 148.09 MDL Number: MFCD06797734 InChI Key: CEAMSISEJZMQEP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl PubChem CID: 17888936 IUPAC Name: 2-(trifluoromethyl)pyrazine SMILES: C1=CN=C(C=N1)C(F)(F)F

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Specifications

PubChem CID	17888936
CAS	61655-67-2
Molecular Weight (g/mol)	148.09
MDL Number	MFCD06797734
SMILES	C1=CN=C(C=N1)C(F)(F)F
Synonym	2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl
IUPAC Name	2-(trifluoromethyl)pyrazine
InChI Key	CEAMSISEJZMQEP-UHFFFAOYSA-N
Molecular Formula	C₅H₃F₃N₂

2,2-Difluoro-N-methoxy-N-methylacetamide, 95%

CAS: 142492-01-1 Molecular Formula: C4H7F2NO2 Molecular Weight (g/mol): 139.10 MDL Number: MFCD06248152 InChI Key: CUPRFYMJGQMIIC-UHFFFAOYSA-N PubChem CID: 19023731 IUPAC Name: 2,2-difluoro-N-methoxy-N-methylacetamide SMILES: CON(C)C(=O)C(F)F

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Specifications

PubChem CID	19023731
CAS	142492-01-1
Molecular Weight (g/mol)	139.10
MDL Number	MFCD06248152
SMILES	CON(C)C(=O)C(F)F
IUPAC Name	2,2-difluoro-N-methoxy-N-methylacetamide
InChI Key	CUPRFYMJGQMIIC-UHFFFAOYSA-N
Molecular Formula	C4H7F2NO2

4-(Trifluoromethyl)indole, 97%

CAS: 128562-95-8 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.15 MDL Number: MFCD09954766 InChI Key: YTVBZSLUNRYKID-UHFFFAOYSA-N Synonym: 4-trifluoromethyl-1h-indole,4-trifluoromethyl indole,4-trifluoromethyl-indole,4-trifluoromethylindole,1h-indole, 4-trifluoromethyl PubChem CID: 19803703 IUPAC Name: 4-(trifluoromethyl)-1H-indole SMILES: FC(F)(F)C1=C2C=CNC2=CC=C1

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Specifications

PubChem CID	19803703
CAS	128562-95-8
Molecular Weight (g/mol)	185.15
MDL Number	MFCD09954766
SMILES	FC(F)(F)C1=C2C=CNC2=CC=C1
Synonym	4-trifluoromethyl-1h-indole,4-trifluoromethyl indole,4-trifluoromethyl-indole,4-trifluoromethylindole,1h-indole, 4-trifluoromethyl
IUPAC Name	4-(trifluoromethyl)-1H-indole
InChI Key	YTVBZSLUNRYKID-UHFFFAOYSA-N
Molecular Formula	C9H6F3N

1-(Trifluoromethyl)cyclopentanecarboxylic acid, 97%

CAS: 277756-44-2 Molecular Formula: C7H9F3O2 Molecular Weight (g/mol): 182.142 MDL Number: MFCD08445821 InChI Key: DGQRYPPBAJNZFZ-UHFFFAOYSA-N Synonym: 1-trifluoromethyl cyclopentane-1-carboxylic acid,1-trifluoromethyl cyclopentanecarboxylic acid,acmc-1cp3t,1-trifluoromethyl-cyclopentanecarboxylic acid,1-trifluoromethylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-trifluoromethyl PubChem CID: 15507525 IUPAC Name: 1-(trifluoromethyl)cyclopentane-1-carboxylic acid SMILES: C1CCC(C1)(C(=O)O)C(F)(F)F

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Specifications

PubChem CID	15507525
CAS	277756-44-2
Molecular Weight (g/mol)	182.142
MDL Number	MFCD08445821
SMILES	C1CCC(C1)(C(=O)O)C(F)(F)F
Synonym	1-trifluoromethyl cyclopentane-1-carboxylic acid,1-trifluoromethyl cyclopentanecarboxylic acid,acmc-1cp3t,1-trifluoromethyl-cyclopentanecarboxylic acid,1-trifluoromethylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-trifluoromethyl
IUPAC Name	1-(trifluoromethyl)cyclopentane-1-carboxylic acid
InChI Key	DGQRYPPBAJNZFZ-UHFFFAOYSA-N
Molecular Formula	C7H9F3O2

1-Trifluoromethylcyclopropane-1-carboxylic acid, 97%, Thermo Scientific Chemicals

CAS: 277756-46-4 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.088 MDL Number: MFCD03093070 InChI Key: SKCBKBCACWDALV-UHFFFAOYSA-N Synonym: 1-trifluoromethyl cyclopropane-1-carboxylic acid,1-trifluoromethyl cyclopropanecarboxylic acid,1-trifluoromethylcyclopropanecarboxylic acid,1-trifluoromethyl cyclopropane-1-carboxylicacid,1-trifluoromethyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-trifluoromethyl,1-trifluoromethyl-cyclopropanecarboxylic acid,pubchem20086,acmc-20aa6t,1-trifluoromethylcyclopropanecarboxylicacid PubChem CID: 2778306 IUPAC Name: 1-(trifluoromethyl)cyclopropane-1-carboxylic acid SMILES: C1CC1(C(=O)O)C(F)(F)F

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Specifications

PubChem CID	2778306
CAS	277756-46-4
Molecular Weight (g/mol)	154.088
MDL Number	MFCD03093070
SMILES	C1CC1(C(=O)O)C(F)(F)F
Synonym	1-trifluoromethyl cyclopropane-1-carboxylic acid,1-trifluoromethyl cyclopropanecarboxylic acid,1-trifluoromethylcyclopropanecarboxylic acid,1-trifluoromethyl cyclopropane-1-carboxylicacid,1-trifluoromethyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-trifluoromethyl,1-trifluoromethyl-cyclopropanecarboxylic acid,pubchem20086,acmc-20aa6t,1-trifluoromethylcyclopropanecarboxylicacid
IUPAC Name	1-(trifluoromethyl)cyclopropane-1-carboxylic acid
InChI Key	SKCBKBCACWDALV-UHFFFAOYSA-N
Molecular Formula	C5H5F3O2

5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 175203-84-6 Molecular Formula: C10H6F3NO3 Molecular Weight (g/mol): 245.16 MDL Number: MFCD00276997 InChI Key: DJJJSHFPEISHFN-UHFFFAOYSA-N Synonym: 5-trifluoromethoxy-1h-indole-2-carboxylic acid,5-trifluoromethoxy indole-2-carboxylic acid,maybridge1_004876,1h-indole-2-carboxylic acid, 5-trifluoromethoxy,5-trifluoromethyloxy-1h-indole-2-carboxylic acid PubChem CID: 2777290 IUPAC Name: 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2N1

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Specifications

PubChem CID	2777290
CAS	175203-84-6
Molecular Weight (g/mol)	245.16
MDL Number	MFCD00276997
SMILES	OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2N1
Synonym	5-trifluoromethoxy-1h-indole-2-carboxylic acid,5-trifluoromethoxy indole-2-carboxylic acid,maybridge1_004876,1h-indole-2-carboxylic acid, 5-trifluoromethoxy,5-trifluoromethyloxy-1h-indole-2-carboxylic acid
IUPAC Name	5-(trifluoromethoxy)-1H-indole-2-carboxylic acid
InChI Key	DJJJSHFPEISHFN-UHFFFAOYSA-N
Molecular Formula	C10H6F3NO3

1-Bromo-4,4,4-trifluorobutane, 98%

CAS: 406-81-5 Molecular Formula: C4H6BrF3 Molecular Weight (g/mol): 190.99 MDL Number: MFCD00066335 InChI Key: DBCAQXHNJOFNGC-UHFFFAOYSA-N Synonym: 1-bromo-4,4,4-trifluorobutane,4,4,4-trifluoro-1-bromobutane,4,4,4-trifluorobutyl bromide,acmc-1ctt1,4,4,4-trifluorobutylbromide,1,1,1-trifluoro-4-bromobutane,1-bromo 4,4,4-trifluoro butane,4-bromo-1,1,1-trifluoro-butane,#,butane,4-bromo-1,1,1-trifluoro PubChem CID: 521006 IUPAC Name: 4-bromo-1,1,1-trifluorobutane SMILES: FC(F)(F)CCCBr

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Specifications

PubChem CID	521006
CAS	406-81-5
Molecular Weight (g/mol)	190.99
MDL Number	MFCD00066335
SMILES	FC(F)(F)CCCBr
Synonym	1-bromo-4,4,4-trifluorobutane,4,4,4-trifluoro-1-bromobutane,4,4,4-trifluorobutyl bromide,acmc-1ctt1,4,4,4-trifluorobutylbromide,1,1,1-trifluoro-4-bromobutane,1-bromo 4,4,4-trifluoro butane,4-bromo-1,1,1-trifluoro-butane,#,butane,4-bromo-1,1,1-trifluoro
IUPAC Name	4-bromo-1,1,1-trifluorobutane
InChI Key	DBCAQXHNJOFNGC-UHFFFAOYSA-N
Molecular Formula	C4H6BrF3

2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether, 97%

CAS: 13838-16-9 Molecular Formula: C3H2ClF5O Molecular Weight (g/mol): 184.49 MDL Number: MFCD00069095 InChI Key: JPGQOUSTVILISH-UHFFFAOYNA-N Synonym: enflurane,methylflurether,efrane,ethrane,2-chloro-1-difluoromethoxy-1,1,2-trifluoroethane,alyrane,anesthetic 347,2-chloro-1,1,2-trifluoroethyl difluoromethyl ether,compound 347,anesthetic compound no. 347 PubChem CID: 3226 ChEBI: CHEBI:4792 IUPAC Name: 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane SMILES: FC(F)OC(F)(F)C(F)Cl

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Specifications

PubChem CID	3226
CAS	13838-16-9
Molecular Weight (g/mol)	184.49
ChEBI	CHEBI:4792
MDL Number	MFCD00069095
SMILES	FC(F)OC(F)(F)C(F)Cl
Synonym	enflurane,methylflurether,efrane,ethrane,2-chloro-1-difluoromethoxy-1,1,2-trifluoroethane,alyrane,anesthetic 347,2-chloro-1,1,2-trifluoroethyl difluoromethyl ether,compound 347,anesthetic compound no. 347
IUPAC Name	2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
InChI Key	JPGQOUSTVILISH-UHFFFAOYNA-N
Molecular Formula	C3H2ClF5O

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