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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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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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

1-Bromo-4-fluorobutane, 97%

CAS: 462-72-6 Molecular Formula: C4H8BrF Molecular Weight (g/mol): 155.01 MDL Number: MFCD00209551 InChI Key: WMCUHRDQSHQNRW-UHFFFAOYSA-N PubChem CID: 10022 IUPAC Name: 1-bromo-4-fluorobutane SMILES: C(CCBr)CF

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Specifications

PubChem CID	10022
CAS	462-72-6
Molecular Weight (g/mol)	155.01
MDL Number	MFCD00209551
SMILES	C(CCBr)CF
IUPAC Name	1-bromo-4-fluorobutane
InChI Key	WMCUHRDQSHQNRW-UHFFFAOYSA-N
Molecular Formula	C4H8BrF

1-(Trifluoromethyl)cyclopentane-1-carboxylic acid, Thermo Scientific™

CAS: 277756-44-2 Molecular Formula: C7H9F3O2 Molecular Weight (g/mol): 182.142 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
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

2-(Trifluoromethyl)pyridine, 99%, Thermo Scientific Chemicals

CAS: 368-48-9 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.10 MDL Number: MFCD02183562 InChI Key: ATRQECRSCHYSNP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine PubChem CID: 136199 IUPAC Name: 2-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC=CC=N1

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Specifications

PubChem CID	136199
CAS	368-48-9
Molecular Weight (g/mol)	147.10
MDL Number	MFCD02183562
SMILES	FC(F)(F)C1=CC=CC=N1
Synonym	2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine
IUPAC Name	2-(trifluoromethyl)pyridine
InChI Key	ATRQECRSCHYSNP-UHFFFAOYSA-N
Molecular Formula	C6H4F3N

Riluzole, 98%

CAS: 1744-22-5 Molecular Formula: C₈H₅F₃N₂OS Molecular Weight (g/mol): 234.2 InChI Key: FTALBRSUTCGOEG-UHFFFAOYSA-N Synonym: riluzole,rilutek,2-amino-6-trifluoromethoxy benzothiazole,6-trifluoromethoxy benzo d thiazol-2-amine,6-trifluoromethoxy-1,3-benzothiazol-2-amine,riluzolum,riluzol,2-amino-6-trifluoromethoxybenzothiazole,riluzole hcl,riluzol inn-spanish PubChem CID: 5070 ChEBI: CHEBI:8863 IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N

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Specifications

PubChem CID	5070
CAS	1744-22-5
Molecular Weight (g/mol)	234.2
ChEBI	CHEBI:8863
SMILES	C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
Synonym	riluzole,rilutek,2-amino-6-trifluoromethoxy benzothiazole,6-trifluoromethoxy benzo d thiazol-2-amine,6-trifluoromethoxy-1,3-benzothiazol-2-amine,riluzolum,riluzol,2-amino-6-trifluoromethoxybenzothiazole,riluzole hcl,riluzol inn-spanish
IUPAC Name	6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
InChI Key	FTALBRSUTCGOEG-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₃N₂OS

3,3,3-Trifluoro-2,2-dimethylpropionic acid, 97%

CAS: 889940-13-0 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.104 MDL Number: MFCD08445819 InChI Key: VMFSJVUPIXOCFO-UHFFFAOYSA-N Synonym: 3,3,3-trifluoro-2,2-dimethylpropionic acid,2-trifluoromethyl-2-methylpropanoic acid,3,3,3-trifluoro-2,2-dimethyl-propionic acid,2-trifluoromethyl-isobutyric acid,3,3,3-trifluoro-2,2-dimethyl-propanoic acid PubChem CID: 19867367 IUPAC Name: 3,3,3-trifluoro-2,2-dimethylpropanoic acid SMILES: CC(C)(C(=O)O)C(F)(F)F

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Specifications

PubChem CID	19867367
CAS	889940-13-0
Molecular Weight (g/mol)	156.104
MDL Number	MFCD08445819
SMILES	CC(C)(C(=O)O)C(F)(F)F
Synonym	3,3,3-trifluoro-2,2-dimethylpropionic acid,2-trifluoromethyl-2-methylpropanoic acid,3,3,3-trifluoro-2,2-dimethyl-propionic acid,2-trifluoromethyl-isobutyric acid,3,3,3-trifluoro-2,2-dimethyl-propanoic acid
IUPAC Name	3,3,3-trifluoro-2,2-dimethylpropanoic acid
InChI Key	VMFSJVUPIXOCFO-UHFFFAOYSA-N
Molecular Formula	C5H7F3O2

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

2,2,3,3,4,4,4-Heptafluorobutyraldehyde hydrate, tech.

CAS: 375-02-0 Molecular Formula: C4HF7O Molecular Weight (g/mol): 198.04 MDL Number: MFCD00039731 InChI Key: IQJZGNJYXIIMGP-UHFFFAOYSA-N Synonym: heptafluorobutyraldehyde,butanal, heptafluoro,butyraldehyde, heptafluoro,heptafluorobutyraldehyde, tech.,perfluorobutanal,perfluorobutyraldehyde,c3f7cho,heptafluoro-n-butyraldehyde,butanal,2,2,3,3,4,4,4-heptafluoro PubChem CID: 67809 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanal SMILES: FC(F)(F)C(F)(F)C(F)(F)C=O

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Specifications

PubChem CID	67809
CAS	375-02-0
Molecular Weight (g/mol)	198.04
MDL Number	MFCD00039731
SMILES	FC(F)(F)C(F)(F)C(F)(F)C=O
Synonym	heptafluorobutyraldehyde,butanal, heptafluoro,butyraldehyde, heptafluoro,heptafluorobutyraldehyde, tech.,perfluorobutanal,perfluorobutyraldehyde,c3f7cho,heptafluoro-n-butyraldehyde,butanal,2,2,3,3,4,4,4-heptafluoro
IUPAC Name	2,2,3,3,4,4,4-heptafluorobutanal
InChI Key	IQJZGNJYXIIMGP-UHFFFAOYSA-N
Molecular Formula	C4HF7O

2-[(2-chloroethyl)sulfonyl]-5-(trifluoromethyl)pyridine, 97%, Thermo Scientific™

CAS: 243643-97-2 Molecular Formula: C8H7ClF3NO2S Molecular Weight (g/mol): 273.654 MDL Number: MFCD00099609 InChI Key: VACOIIVHOIMMEF-UHFFFAOYSA-N Synonym: 2-2-chloroethyl sulfonyl-5-trifluoromethyl pyridine,2-2-chloroethanesulfonyl-5-trifluoromethyl pyridine,2-2-chloroethylsulfonyl-5-trifluoromethyl pyridine,2-2-chloroethyl sulphonyl-5-trifluoromethyl pyridine,pyridine,2-2-chloroethyl sulfonyl-5-trifluoromethyl PubChem CID: 2779640 IUPAC Name: 2-(2-chloroethylsulfonyl)-5-(trifluoromethyl)pyridine SMILES: C1=CC(=NC=C1C(F)(F)F)S(=O)(=O)CCCl

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Specifications

PubChem CID	2779640
CAS	243643-97-2
Molecular Weight (g/mol)	273.654
MDL Number	MFCD00099609
SMILES	C1=CC(=NC=C1C(F)(F)F)S(=O)(=O)CCCl
Synonym	2-2-chloroethyl sulfonyl-5-trifluoromethyl pyridine,2-2-chloroethanesulfonyl-5-trifluoromethyl pyridine,2-2-chloroethylsulfonyl-5-trifluoromethyl pyridine,2-2-chloroethyl sulphonyl-5-trifluoromethyl pyridine,pyridine,2-2-chloroethyl sulfonyl-5-trifluoromethyl
IUPAC Name	2-(2-chloroethylsulfonyl)-5-(trifluoromethyl)pyridine
InChI Key	VACOIIVHOIMMEF-UHFFFAOYSA-N
Molecular Formula	C8H7ClF3NO2S

Perfluoro(decahydronaphthalene), cis + trans, 95%, Thermo Scientific Chemicals

CAS: 306-94-5 Molecular Formula: C10F18 Molecular Weight (g/mol): 462.081 MDL Number: MFCD00010626 InChI Key: UWEYRJFJVCLAGH-UHFFFAOYSA-N Synonym: perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin PubChem CID: 9386 ChEBI: CHEBI:38848 IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene SMILES: C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

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Specifications

PubChem CID	9386
CAS	306-94-5
Molecular Weight (g/mol)	462.081
ChEBI	CHEBI:38848
MDL Number	MFCD00010626
SMILES	C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
Synonym	perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin
IUPAC Name	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
InChI Key	UWEYRJFJVCLAGH-UHFFFAOYSA-N
Molecular Formula	C10F18

3,5-Bis(trifluoromethyl)pyridine, 97%

CAS: 20857-47-0 Molecular Formula: C7H3F6N Molecular Weight (g/mol): 215.098 MDL Number: MFCD00128904 InChI Key: RQEOYYWUVYZZLL-UHFFFAOYSA-N PubChem CID: 2778311 IUPAC Name: 3,5-bis(trifluoromethyl)pyridine SMILES: C1=C(C=NC=C1C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	2778311
CAS	20857-47-0
Molecular Weight (g/mol)	215.098
MDL Number	MFCD00128904
SMILES	C1=C(C=NC=C1C(F)(F)F)C(F)(F)F
IUPAC Name	3,5-bis(trifluoromethyl)pyridine
InChI Key	RQEOYYWUVYZZLL-UHFFFAOYSA-N
Molecular Formula	C7H3F6N

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