Organofluorides

Organic compounds that contain one or more fluorine atoms.

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Ethyl 4,4,4-trifluorobutyrate, 98%

CAS: 371-26-6 Molecular Formula: C6H9F3O2 Molecular Weight (g/mol): 170.131 MDL Number: MFCD00041398 InChI Key: PSRZMXNNQTWAGB-UHFFFAOYSA-N Synonym: ethyl 4,4,4-trifluorobutyrate,ethyl4,4,4-trifluorobutyrate,4,4,4-trifluorobutyric acid ethyl ester,4,4,4-trifluoro-butyric acid ethyl ester,butanoic acid, 4,4,4-trifluoro-, ethyl ester,acmc-1cncd,ethyl-4,4,4-trifluorobutyrate,ethyl 3-trifluoromethylpropionate,butanoic acid,4,4,4-trifluoro-, ethyl ester PubChem CID: 2733273 IUPAC Name: ethyl 4,4,4-trifluorobutanoate SMILES: CCOC(=O)CCC(F)(F)F

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PubChem CID	2733273
CAS	371-26-6
Molecular Weight (g/mol)	170.131
MDL Number	MFCD00041398
SMILES	CCOC(=O)CCC(F)(F)F
Synonym	ethyl 4,4,4-trifluorobutyrate,ethyl4,4,4-trifluorobutyrate,4,4,4-trifluorobutyric acid ethyl ester,4,4,4-trifluoro-butyric acid ethyl ester,butanoic acid, 4,4,4-trifluoro-, ethyl ester,acmc-1cncd,ethyl-4,4,4-trifluorobutyrate,ethyl 3-trifluoromethylpropionate,butanoic acid,4,4,4-trifluoro-, ethyl ester
IUPAC Name	ethyl 4,4,4-trifluorobutanoate
InChI Key	PSRZMXNNQTWAGB-UHFFFAOYSA-N
Molecular Formula	C6H9F3O2

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Diethyl 4,4-difluoropimelate, 97%, Thermo Scientific™

CAS: 22515-16-8 Molecular Formula: C11H18F2O4 Molecular Weight (g/mol): 252.26 MDL Number: MFCD08146634 InChI Key: XUOBBVMKXUPPEW-UHFFFAOYSA-N Synonym: 4,4-difluoroheptanedioic acid diethyl ester,1,7-diethyl 4,4-difluoroheptanedioate,diethyl 4,4-difluoropimelate,pubchem22650,diethyl 4,4-heptanedioate,ksc494q0l,diethyl4,4-difluoroheptanedioate,diethyl 4,4-difluoroheptane-1,7-dioate,4,4-difluoro-heptanedioic acid diethyl ester,heptanedioicacid,4,4-difluoro-,1,7-diethylester PubChem CID: 10264195 IUPAC Name: diethyl 4,4-difluoroheptanedioate SMILES: CCOC(=O)CCC(F)(F)CCC(=O)OCC

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PubChem CID	10264195
CAS	22515-16-8
Molecular Weight (g/mol)	252.26
MDL Number	MFCD08146634
SMILES	CCOC(=O)CCC(F)(F)CCC(=O)OCC
Synonym	4,4-difluoroheptanedioic acid diethyl ester,1,7-diethyl 4,4-difluoroheptanedioate,diethyl 4,4-difluoropimelate,pubchem22650,diethyl 4,4-heptanedioate,ksc494q0l,diethyl4,4-difluoroheptanedioate,diethyl 4,4-difluoroheptane-1,7-dioate,4,4-difluoro-heptanedioic acid diethyl ester,heptanedioicacid,4,4-difluoro-,1,7-diethylester
IUPAC Name	diethyl 4,4-difluoroheptanedioate
InChI Key	XUOBBVMKXUPPEW-UHFFFAOYSA-N
Molecular Formula	C11H18F2O4

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8-(Trifluoromethyl)quinoline, 98%, Thermo Scientific Chemicals

CAS: 317-57-7 Molecular Formula: C10H6F3N Molecular Weight (g/mol): 197.16 MDL Number: MFCD09744668 InChI Key: AJXUSUNIYLSPER-UHFFFAOYSA-N PubChem CID: 12647568 IUPAC Name: 8-(trifluoromethyl)quinoline SMILES: C1=CC2=C(C(=C1)C(F)(F)F)N=CC=C2

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Specifications

PubChem CID	12647568
CAS	317-57-7
Molecular Weight (g/mol)	197.16
MDL Number	MFCD09744668
SMILES	C1=CC2=C(C(=C1)C(F)(F)F)N=CC=C2
IUPAC Name	8-(trifluoromethyl)quinoline
InChI Key	AJXUSUNIYLSPER-UHFFFAOYSA-N
Molecular Formula	C10H6F3N

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

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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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

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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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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

3,3,3-Trifluoro-2,2-dimethylpropionic acid, Thermo Scientific™

CAS: 889940-13-0 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.104 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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PubChem CID	19867367
CAS	889940-13-0
Molecular Weight (g/mol)	156.104
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

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2,2,2-Trifluoroethyl formate, 95%, Thermo Scientific Chemicals

CAS: 32042-38-9 Molecular Formula: C3H3F3O2 Molecular Weight (g/mol): 128.05 MDL Number: MFCD06797733 InChI Key: CAFROQYMUICGNO-UHFFFAOYSA-N Synonym: tfef,formic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylformate,trifluoroethyl formate,zlchem 326,hcooch2cf3,acmc-209hq8,ksc495g7p,2,2,2-trifluoroethyl formate,2,2,2-tris fluoranyl ethyl methanoate PubChem CID: 141681 IUPAC Name: 2,2,2-trifluoroethyl formate SMILES: FC(F)(F)COC=O

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PubChem CID	141681
CAS	32042-38-9
Molecular Weight (g/mol)	128.05
MDL Number	MFCD06797733
SMILES	FC(F)(F)COC=O
Synonym	tfef,formic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylformate,trifluoroethyl formate,zlchem 326,hcooch2cf3,acmc-209hq8,ksc495g7p,2,2,2-trifluoroethyl formate,2,2,2-tris fluoranyl ethyl methanoate
IUPAC Name	2,2,2-trifluoroethyl formate
InChI Key	CAFROQYMUICGNO-UHFFFAOYSA-N
Molecular Formula	C3H3F3O2

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3-(Difluoromethyl)aniline, 97%

CAS: 368-99-0 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD18384830 InChI Key: IDFPXKDJNDYDKA-UHFFFAOYSA-N Synonym: 3-difluoromethyl aniline,3-difluoromethyl benzenamine,3-difluoromethyl-phenylamine,3-difluoromethyl benzenamine hcl PubChem CID: 23445119 IUPAC Name: 3-(difluoromethyl)aniline SMILES: NC1=CC=CC(=C1)C(F)F

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Specifications

PubChem CID	23445119
CAS	368-99-0
Molecular Weight (g/mol)	143.14
MDL Number	MFCD18384830
SMILES	NC1=CC=CC(=C1)C(F)F
Synonym	3-difluoromethyl aniline,3-difluoromethyl benzenamine,3-difluoromethyl-phenylamine,3-difluoromethyl benzenamine hcl
IUPAC Name	3-(difluoromethyl)aniline
InChI Key	IDFPXKDJNDYDKA-UHFFFAOYSA-N
Molecular Formula	C7H7F2N

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1-Bromo-5-fluoropentane, 99%

CAS: 407-97-6 Molecular Formula: C5H10BrF Molecular Weight (g/mol): 169.037 MDL Number: MFCD01709395 InChI Key: GMYIZICPHREVDH-UHFFFAOYSA-N Synonym: pentane, 1-bromo-5-fluoro,5-fluoroamyl bromide,5-fluoropentyl bromide,fluoropentyl bromide,5-bromopentyl fluoride,acmc-20a2uo,1-bromo-5-fluoro-pentane,pentane,1-bromo-5-fluoro,4-01-00-00313 beilstein handbook reference,ksc493m6b PubChem CID: 120236 IUPAC Name: 1-bromo-5-fluoropentane SMILES: C(CCF)CCBr

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PubChem CID	120236
CAS	407-97-6
Molecular Weight (g/mol)	169.037
MDL Number	MFCD01709395
SMILES	C(CCF)CCBr
Synonym	pentane, 1-bromo-5-fluoro,5-fluoroamyl bromide,5-fluoropentyl bromide,fluoropentyl bromide,5-bromopentyl fluoride,acmc-20a2uo,1-bromo-5-fluoro-pentane,pentane,1-bromo-5-fluoro,4-01-00-00313 beilstein handbook reference,ksc493m6b
IUPAC Name	1-bromo-5-fluoropentane
InChI Key	GMYIZICPHREVDH-UHFFFAOYSA-N
Molecular Formula	C5H10BrF

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2,2,3,3,4,4,4-Heptafluorobutylamine, 97%, Thermo Scientific Chemicals

CAS: 374-99-2 Molecular Formula: C4H4F7N Molecular Weight (g/mol): 199.072 MDL Number: MFCD00014817 InChI Key: WBGBQSRNXPVFDB-UHFFFAOYSA-N Synonym: 2,2,3,3,4,4,4-heptafluorobutylamine,1h,1h-heptafluorobutylamine,heptafluorobutylamine,butylamine, 2,2,3,3,4,4,4-heptafluoro,1-butanamine, 2,2,3,3,4,4,4-heptafluoro,1h,1h-perfluorobutylamine,acmc-1af94,1-butanamine,2,2,3,3,4,4,4-heptafluoro PubChem CID: 67807 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutan-1-amine SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)N

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PubChem CID	67807
CAS	374-99-2
Molecular Weight (g/mol)	199.072
MDL Number	MFCD00014817
SMILES	C(C(C(C(F)(F)F)(F)F)(F)F)N
Synonym	2,2,3,3,4,4,4-heptafluorobutylamine,1h,1h-heptafluorobutylamine,heptafluorobutylamine,butylamine, 2,2,3,3,4,4,4-heptafluoro,1-butanamine, 2,2,3,3,4,4,4-heptafluoro,1h,1h-perfluorobutylamine,acmc-1af94,1-butanamine,2,2,3,3,4,4,4-heptafluoro
IUPAC Name	2,2,3,3,4,4,4-heptafluorobutan-1-amine
InChI Key	WBGBQSRNXPVFDB-UHFFFAOYSA-N
Molecular Formula	C4H4F7N

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2,2,2-Trifluoroethylamine hydrochloride, 98%

CAS: 373-88-6 Molecular Formula: C2H5ClF3N Molecular Weight (g/mol): 135.51 MDL Number: MFCD00012875 InChI Key: ZTUJDPKOHPKRMO-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethylamine hydrochloride,2,2,2-trifluoroethanamine hydrochloride,trifluoroethylamine hydrochloride,ethanamine, 2,2,2-trifluoro-, hydrochloride,2,2,2-trifluoroethylaminehydrochloride,2,2,2-trifluoroethylamine, hydrochloride,2,2,2-trifluoroethan-1-amine hydrochloride,2,2,2-trifluoroethylamine hcl,ethylamine, trifluoro-, hydrochloride,ethanamine, 2,2,2-trifluoro-, hydrochloride 1:1 PubChem CID: 9772 IUPAC Name: 2,2,2-trifluoroethanamine;hydrochloride SMILES: [H+].[Cl-].NCC(F)(F)F

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PubChem CID	9772
CAS	373-88-6
Molecular Weight (g/mol)	135.51
MDL Number	MFCD00012875
SMILES	[H+].[Cl-].NCC(F)(F)F
Synonym	2,2,2-trifluoroethylamine hydrochloride,2,2,2-trifluoroethanamine hydrochloride,trifluoroethylamine hydrochloride,ethanamine, 2,2,2-trifluoro-, hydrochloride,2,2,2-trifluoroethylaminehydrochloride,2,2,2-trifluoroethylamine, hydrochloride,2,2,2-trifluoroethan-1-amine hydrochloride,2,2,2-trifluoroethylamine hcl,ethylamine, trifluoro-, hydrochloride,ethanamine, 2,2,2-trifluoro-, hydrochloride 1:1
IUPAC Name	2,2,2-trifluoroethanamine;hydrochloride
InChI Key	ZTUJDPKOHPKRMO-UHFFFAOYSA-N
Molecular Formula	C2H5ClF3N

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3,4-Bis(trifluoromethyl)pyridine, 96%, Thermo Scientific Chemicals

CAS: 20857-46-9 Molecular Formula: C7H3F6N Molecular Weight (g/mol): 215.10 MDL Number: MFCD08686956 InChI Key: SVYGFFYEEPFDOC-UHFFFAOYSA-N Synonym: 3,4-bis trifluoromethyl pyridine,acmc-20anfx,3,4-di trifluoromethyl pyridine,pyridine,3,4-bis trifluoromethyl PubChem CID: 14937917 IUPAC Name: 3,4-bis(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=C(C=NC=C1)C(F)(F)F

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PubChem CID	14937917
CAS	20857-46-9
Molecular Weight (g/mol)	215.10
MDL Number	MFCD08686956
SMILES	FC(F)(F)C1=C(C=NC=C1)C(F)(F)F
Synonym	3,4-bis trifluoromethyl pyridine,acmc-20anfx,3,4-di trifluoromethyl pyridine,pyridine,3,4-bis trifluoromethyl
IUPAC Name	3,4-bis(trifluoromethyl)pyridine
InChI Key	SVYGFFYEEPFDOC-UHFFFAOYSA-N
Molecular Formula	C7H3F6N

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2,2,3,3,4,4,4-Heptafluorobutylamine, 97%

CAS: 374-99-2 Molecular Formula: C₄H₄F₇N Molecular Weight (g/mol): 199.07 MDL Number: MFCD00014817 InChI Key: WBGBQSRNXPVFDB-UHFFFAOYSA-N PubChem CID: 67807 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutan-1-amine SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)N

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PubChem CID	67807
CAS	374-99-2
Molecular Weight (g/mol)	199.07
MDL Number	MFCD00014817
SMILES	C(C(C(C(F)(F)F)(F)F)(F)F)N
IUPAC Name	2,2,3,3,4,4,4-heptafluorobutan-1-amine
InChI Key	WBGBQSRNXPVFDB-UHFFFAOYSA-N
Molecular Formula	C₄H₄F₇N

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2,4,6-Tris(trifluoromethyl)-1,3,5-triazine, 98%

CAS: 368-66-1 Molecular Formula: C6F9N3 Molecular Weight (g/mol): 285.07 MDL Number: MFCD00042436 InChI Key: LSGBKABSSSIRJF-UHFFFAOYSA-N Synonym: 2,4,6-tris trifluoromethyl-1,3,5-triazine,s-triazine, 2,4,6-tris trifluoromethyl,1,3,5-triazine, 2,4,6-tris trifluoromethyl,2,4,6-tris trifluoromethyl-sym-triazine,2,4,6-tris trifluoromethyl-s-triazine,tris trifluoromethyl-1,3,5-triazine,acmc-1cp6j,5-26-01-00320 beilstein handbook reference,1,3,5-triazine,2,4,6-tris trifluoromethyl,2,4,6-tris trifluoromethyl-1,3,5 triazine PubChem CID: 9715 IUPAC Name: 2,4,6-tris(trifluoromethyl)-1,3,5-triazine SMILES: FC(F)(F)C1=NC(=NC(=N1)C(F)(F)F)C(F)(F)F

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PubChem CID	9715
CAS	368-66-1
Molecular Weight (g/mol)	285.07
MDL Number	MFCD00042436
SMILES	FC(F)(F)C1=NC(=NC(=N1)C(F)(F)F)C(F)(F)F
Synonym	2,4,6-tris trifluoromethyl-1,3,5-triazine,s-triazine, 2,4,6-tris trifluoromethyl,1,3,5-triazine, 2,4,6-tris trifluoromethyl,2,4,6-tris trifluoromethyl-sym-triazine,2,4,6-tris trifluoromethyl-s-triazine,tris trifluoromethyl-1,3,5-triazine,acmc-1cp6j,5-26-01-00320 beilstein handbook reference,1,3,5-triazine,2,4,6-tris trifluoromethyl,2,4,6-tris trifluoromethyl-1,3,5 triazine
IUPAC Name	2,4,6-tris(trifluoromethyl)-1,3,5-triazine
InChI Key	LSGBKABSSSIRJF-UHFFFAOYSA-N
Molecular Formula	C6F9N3

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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

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