Organofluorides

Organic compounds that contain one or more fluorine atoms.

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1,2-Dibromohexafluoropropane, 95%

CAS: 661-95-0 Molecular Formula: C3Br2F6 Molecular Weight (g/mol): 309.83 MDL Number: MFCD00013568 InChI Key: KTULQNFKNLFOHL-UHFFFAOYNA-N Synonym: 1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro PubChem CID: 69579 IUPAC Name: 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane SMILES: FC(F)(F)C(F)(Br)C(F)(F)Br

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PubChem CID	69579
CAS	661-95-0
Molecular Weight (g/mol)	309.83
MDL Number	MFCD00013568
SMILES	FC(F)(F)C(F)(Br)C(F)(F)Br
Synonym	1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro
IUPAC Name	1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
InChI Key	KTULQNFKNLFOHL-UHFFFAOYNA-N
Molecular Formula	C3Br2F6

Octadecafluorodecahydronaphthalene 95.0+%, TCI America™

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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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

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

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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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

1-Fluoroadamantane 98.0+%, TCI America™

CAS: 768-92-3 Molecular Formula: C10H15F Molecular Weight (g/mol): 154.228 InChI Key: CPWSNJSGSXXVLD-UHFFFAOYSA-N Synonym: 1-Adamantyl Fluoride PubChem CID: 136608 IUPAC Name: 1-fluoroadamantane SMILES: C1C2CC3CC1CC(C2)(C3)F

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PubChem CID	136608
CAS	768-92-3
Molecular Weight (g/mol)	154.228
SMILES	C1C2CC3CC1CC(C2)(C3)F
Synonym	1-Adamantyl Fluoride
IUPAC Name	1-fluoroadamantane
InChI Key	CPWSNJSGSXXVLD-UHFFFAOYSA-N
Molecular Formula	C10H15F

1,8-Dibromohexadecafluorooctane 97.0+%, TCI America™

CAS: 812-58-8 Molecular Formula: C8Br2F16 Molecular Weight (g/mol): 559.87 MDL Number: MFCD00153111 InChI Key: LYRJPHOHVRHNQH-UHFFFAOYSA-N Synonym: 1,8-Dibromoperfluorooctane PubChem CID: 2736786 IUPAC Name: 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane SMILES: FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br

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PubChem CID	2736786
CAS	812-58-8
Molecular Weight (g/mol)	559.87
MDL Number	MFCD00153111
SMILES	FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
Synonym	1,8-Dibromoperfluorooctane
IUPAC Name	1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
InChI Key	LYRJPHOHVRHNQH-UHFFFAOYSA-N
Molecular Formula	C8Br2F16

Fluoroacetonitrile 98.0+%, TCI America™

CAS: 503-20-8 Molecular Formula: C2H2FN Molecular Weight (g/mol): 59.043 MDL Number: MFCD00009969 InChI Key: GNFVFPBRMLIKIM-UHFFFAOYSA-N PubChem CID: 10420 IUPAC Name: 2-fluoroacetonitrile SMILES: C(C#N)F

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PubChem CID	10420
CAS	503-20-8
Molecular Weight (g/mol)	59.043
MDL Number	MFCD00009969
SMILES	C(C#N)F
IUPAC Name	2-fluoroacetonitrile
InChI Key	GNFVFPBRMLIKIM-UHFFFAOYSA-N
Molecular Formula	C2H2FN

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7-(Trifluoromethyl)quinoline, 97%

CAS: 325-14-4 Molecular Formula: C10H6F3N Molecular Weight (g/mol): 197.16 MDL Number: MFCD00833760 InChI Key: CMMSEFHVUYEEDY-UHFFFAOYSA-N Synonym: 7-trifluoromethyl quinoline,7-cf3 quinoline,7-trrfluoromethylquinoline,pubchem7218,7-trifluoromethyl-quinoline,acmc-20a40f,quinoline,7-trifluoromethyl,quinoline, 7-trifluoromethyl PubChem CID: 459614 IUPAC Name: 7-(trifluoromethyl)quinoline SMILES: C1=CC2=C(C=C(C=C2)C(F)(F)F)N=C1

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PubChem CID	459614
CAS	325-14-4
Molecular Weight (g/mol)	197.16
MDL Number	MFCD00833760
SMILES	C1=CC2=C(C=C(C=C2)C(F)(F)F)N=C1
Synonym	7-trifluoromethyl quinoline,7-cf3 quinoline,7-trrfluoromethylquinoline,pubchem7218,7-trifluoromethyl-quinoline,acmc-20a40f,quinoline,7-trifluoromethyl,quinoline, 7-trifluoromethyl
IUPAC Name	7-(trifluoromethyl)quinoline
InChI Key	CMMSEFHVUYEEDY-UHFFFAOYSA-N
Molecular Formula	C10H6F3N

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5-(Trifluoromethyl)pyridine-2-carboxylic acid, 95%

CAS: 80194-69-0 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD04113632 InChI Key: NJHGVAYLDHROPT-UHFFFAOYSA-N Synonym: 5-trifluoromethyl pyridine-2-carboxylic acid,5-trifluoromethyl picolinic acid,5-trifluoromethyl-2-pyridinecarboxylic acid,5-trifluoromethyl-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 5-trifluoromethyl,5-trifluoromethyl pyridine-2-carboxylicacid,pubchem15164,acmc-209pj2 PubChem CID: 10910349 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1C(F)(F)F)C(=O)O

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Specifications

PubChem CID	10910349
CAS	80194-69-0
Molecular Weight (g/mol)	191.109
MDL Number	MFCD04113632
SMILES	C1=CC(=NC=C1C(F)(F)F)C(=O)O
Synonym	5-trifluoromethyl pyridine-2-carboxylic acid,5-trifluoromethyl picolinic acid,5-trifluoromethyl-2-pyridinecarboxylic acid,5-trifluoromethyl-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 5-trifluoromethyl,5-trifluoromethyl pyridine-2-carboxylicacid,pubchem15164,acmc-209pj2
IUPAC Name	5-(trifluoromethyl)pyridine-2-carboxylic acid
InChI Key	NJHGVAYLDHROPT-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO2

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4,4,4-Trifluoro-2-butanone, 97%

CAS: 2366-70-3 Molecular Formula: C4H5F3O Molecular Weight (g/mol): 126.078 MDL Number: MFCD00077601 InChI Key: BTXXTMOWISPQSJ-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-2-butanone,2-butanone, 4,4,4-trifluoro,trifluoromethylacetone,trifluoromethyl acetone,acmc-1cb0f,3-oxo-1,1,1-trifluorobutane PubChem CID: 539001 IUPAC Name: 4,4,4-trifluorobutan-2-one SMILES: CC(=O)CC(F)(F)F

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PubChem CID	539001
CAS	2366-70-3
Molecular Weight (g/mol)	126.078
MDL Number	MFCD00077601
SMILES	CC(=O)CC(F)(F)F
Synonym	4,4,4-trifluoro-2-butanone,2-butanone, 4,4,4-trifluoro,trifluoromethylacetone,trifluoromethyl acetone,acmc-1cb0f,3-oxo-1,1,1-trifluorobutane
IUPAC Name	4,4,4-trifluorobutan-2-one
InChI Key	BTXXTMOWISPQSJ-UHFFFAOYSA-N
Molecular Formula	C4H5F3O

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2,2-Difluorocyclopropanecarboxylic acid, 95%

CAS: 107873-03-0 Molecular Formula: C4H4F2O2 Molecular Weight (g/mol): 122.071 MDL Number: MFCD04115828 InChI Key: KMLMOVWSQPHQME-UHFFFAOYSA-N Synonym: 2,2-difluorocyclopropanecarboxylic acid,2,2-difluoro-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2,2-difluoro,acmc-20aht4,2-carboxy-1,1-difluorocyclopropane,2,2-difluoro cyclopropanecarboxylic acid,2,2-difluoro-cyclopropanecarboxylic?acid,2,2-difluorocyclopropane carboxylic acid,2,2-difluorocyclopropane-carboxylic acid,2,2-difluoro-cyclopropane-carboxylic acid PubChem CID: 2782823 IUPAC Name: 2,2-difluorocyclopropane-1-carboxylic acid SMILES: C1C(C1(F)F)C(=O)O

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PubChem CID	2782823
CAS	107873-03-0
Molecular Weight (g/mol)	122.071
MDL Number	MFCD04115828
SMILES	C1C(C1(F)F)C(=O)O
Synonym	2,2-difluorocyclopropanecarboxylic acid,2,2-difluoro-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2,2-difluoro,acmc-20aht4,2-carboxy-1,1-difluorocyclopropane,2,2-difluoro cyclopropanecarboxylic acid,2,2-difluoro-cyclopropanecarboxylic?acid,2,2-difluorocyclopropane carboxylic acid,2,2-difluorocyclopropane-carboxylic acid,2,2-difluoro-cyclopropane-carboxylic acid
IUPAC Name	2,2-difluorocyclopropane-1-carboxylic acid
InChI Key	KMLMOVWSQPHQME-UHFFFAOYSA-N
Molecular Formula	C4H4F2O2

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5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, 96%

CAS: 129946-88-9 Molecular Formula: C14H8F6O3S2 Molecular Weight (g/mol): 402.33 MDL Number: MFCD00236132 InChI Key: QXXHXTRTGZBOGD-UHFFFAOYSA-M Synonym: 5-trifluoromethyl-5h-dibenzo b,d thiophen-5-ium trifluoromethanesulfonate,s-trifluoromethyl dibenzothiophenium trifluoromethanesulfonate,5-trifluoromethyl dibenzothiophenium trifluoromethanesulfonate,s-trifluoromethyl dibenzothiophenium triflate,s-trifluoromethyl dibenzothiophenium trifluoromethanesulphonate,trifluoromethanesulfonate; 5-trifluoromethyl dibenzothiophen-5-ium,pubchem16425,acmc-20a6nt,c13h8f3s.chf3o3s,s-trifluoromethyl dibenzothiophenium trifluoromet PubChem CID: 2777507 IUPAC Name: trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium SMILES: [O-]S(=O)(=O)C(F)(F)F.FC(F)(F)[S+]1C2=CC=CC=C2C2=CC=CC=C12

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Specifications

PubChem CID	2777507
CAS	129946-88-9
Molecular Weight (g/mol)	402.33
MDL Number	MFCD00236132
SMILES	[O-]S(=O)(=O)C(F)(F)F.FC(F)(F)[S+]1C2=CC=CC=C2C2=CC=CC=C12
Synonym	5-trifluoromethyl-5h-dibenzo b,d thiophen-5-ium trifluoromethanesulfonate,s-trifluoromethyl dibenzothiophenium trifluoromethanesulfonate,5-trifluoromethyl dibenzothiophenium trifluoromethanesulfonate,s-trifluoromethyl dibenzothiophenium triflate,s-trifluoromethyl dibenzothiophenium trifluoromethanesulphonate,trifluoromethanesulfonate; 5-trifluoromethyl dibenzothiophen-5-ium,pubchem16425,acmc-20a6nt,c13h8f3s.chf3o3s,s-trifluoromethyl dibenzothiophenium trifluoromet
IUPAC Name	trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium
InChI Key	QXXHXTRTGZBOGD-UHFFFAOYSA-M
Molecular Formula	C14H8F6O3S2

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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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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

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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Specifications

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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