1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene

C14H8F6 — CID 157221283

IUPAC1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene
SMILESCc1c(-c2cccc(F)c2F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H8F6/c1-7-8(9-3-2-4-11(15)13(9)17)5-6-10(12(7)16)14(18,19)20/h2-6H,1H3
InChIKeyRYXSZWIZTFCHQL-UHFFFAOYSA-N
MW290.21 g/mol
LogP5.10
Rot. Bonds1

About 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene

1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene (PubChem CID 157221283) has the molecular formula C14H8F6 and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene
PubChem CID157221283
Molecular FormulaC14H8F6
Molecular Weight290.21 g/mol
Exact Mass290.05
IUPAC Name1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene
SMILESCc1c(-c2cccc(F)c2F)ccc(C(F)(F)F)c1F
InChIInChI=1S/C14H8F6/c1-7-8(9-3-2-4-11(15)13(9)17)5-6-10(12(7)16)14(18,19)20/h2-6H,1H3
InChIKeyRYXSZWIZTFCHQL-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.21
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 134629587
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
1,2-difluoro-3-[2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 118843388
3-[(E)-2-[3-(2,3-difluorophenyl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde
CID 155265248
1,2-difluoro-3-(trifluoromethyl)benzene;propane;1,2,3-trimethylbenzene
CID 143472614
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 134625578
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1,2,3,4,5-pentafluoro-6-[2-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134620901
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene (CID 157221283) is 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene is Cc1c(-c2cccc(F)c2F)ccc(C(F)(F)F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene?
The InChIKey is RYXSZWIZTFCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6/c1-7-8(9-3-2-4-11(15)13(9)17)5-6-10(12(7)16)14(18,19)20/h2-6H,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene?
1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene has a molecular weight of 290.21 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157221283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).