2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid

C14H9F3O2 — CID 172914103

IUPAC2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(-c2ccc(F)cc2F)cc1F
InChIInChI=1S/C14H9F3O2/c1-7-4-11(14(18)19)10(6-12(7)16)9-3-2-8(15)5-13(9)17/h2-6H,1H3,(H,18,19)
InChIKeyVHKGUXGVBOMDOM-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.78
Rot. Bonds2

About 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid

2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid (PubChem CID 172914103) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
PubChem CID172914103
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(-c2ccc(F)cc2F)cc1F
InChIInChI=1S/C14H9F3O2/c1-7-4-11(14(18)19)10(6-12(7)16)9-3-2-8(15)5-13(9)17/h2-6H,1H3,(H,18,19)
InChIKeyVHKGUXGVBOMDOM-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
CID 53211223
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
3-(2,5-difluoro-4-methylphenyl)-2-fluorobenzoic acid
CID 107957745
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid (CID 172914103) is 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid is Cc1cc(C(=O)O)c(-c2ccc(F)cc2F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid?
The InChIKey is VHKGUXGVBOMDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-7-4-11(14(18)19)10(6-12(7)16)9-3-2-8(15)5-13(9)17/h2-6H,1H3,(H,18,19).
What are the key properties of 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid?
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid has a molecular weight of 266.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid is sourced from PubChem (CID 172914103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).