2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid

C14H10F2O2 — CID 162534075

IUPAC2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid
SMILESCc1cc(-c2ccc(F)cc2)cc(F)c1C(=O)O
InChIInChI=1S/C14H10F2O2/c1-8-6-10(7-12(16)13(8)14(17)18)9-2-4-11(15)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyGXHAINBVRIDPEH-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.64
Rot. Bonds2

About 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid

2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid (PubChem CID 162534075) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid
PubChem CID162534075
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid
SMILESCc1cc(-c2ccc(F)cc2)cc(F)c1C(=O)O
InChIInChI=1S/C14H10F2O2/c1-8-6-10(7-12(16)13(8)14(17)18)9-2-4-11(15)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyGXHAINBVRIDPEH-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
CID 162534074
2,4-difluoro-6-methylbenzoic acid
CID 119005612
4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid
CID 172876917
4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid
CID 165451215
2-chloro-6-methyl-4-phenylbenzoic acid
CID 140590152
4-(1-cyclopentylpyrazol-4-yl)-2-fluoro-6-methylbenzoic acid
CID 171365273
2-fluoro-6-methylbenzoic acid
CID 13478132
1,2,3-trifluoro-5-(4-fluorophenyl)benzene
CID 12982677
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
4-(4-fluorophenyl)-2-(furan-2-yl)-6-methylbenzene-1,3-dicarboxylic acid
CID 175375654

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid?
The IUPAC name of 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid (CID 162534075) is 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid.
What is the SMILES notation for 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid?
The canonical SMILES for 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid is Cc1cc(-c2ccc(F)cc2)cc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid?
The InChIKey is GXHAINBVRIDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-8-6-10(7-12(16)13(8)14(17)18)9-2-4-11(15)5-3-9/h2-7H,1H3,(H,17,18).
What are the key properties of 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid?
2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid has a molecular weight of 248.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid is sourced from PubChem (CID 162534075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).