3,5-difluoro-4-(2-fluorophenyl)benzoic acid

C13H7F3O2 — CID 170919050

IUPAC3,5-difluoro-4-(2-fluorophenyl)benzoic acid
SMILESO=C(O)c1cc(F)c(-c2ccccc2F)c(F)c1
InChIInChI=1S/C13H7F3O2/c14-9-4-2-1-3-8(9)12-10(15)5-7(13(17)18)6-11(12)16/h1-6H,(H,17,18)
InChIKeyZMLUDDQKRLVYNL-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

About 3,5-difluoro-4-(2-fluorophenyl)benzoic acid

3,5-difluoro-4-(2-fluorophenyl)benzoic acid (PubChem CID 170919050) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-(2-fluorophenyl)benzoic acid
PubChem CID170919050
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name3,5-difluoro-4-(2-fluorophenyl)benzoic acid
SMILESO=C(O)c1cc(F)c(-c2ccccc2F)c(F)c1
InChIInChI=1S/C13H7F3O2/c14-9-4-2-1-3-8(9)12-10(15)5-7(13(17)18)6-11(12)16/h1-6H,(H,17,18)
InChIKeyZMLUDDQKRLVYNL-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-difluoro-4-(2-fluorophenyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
3-amino-5-(2-fluorophenyl)benzoic acid
CID 53225005
1-[3-acetyl-2-(2-fluorophenyl)azulen-1-yl]ethanone
CID 157391831
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
4-(2-fluorophenyl)-3-isocyanobenzoic acid
CID 59781677
3-(2-bromophenyl)-4-fluorobenzoic acid
CID 107957461
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
3-(2-fluorophenyl)-1H-pyrrole-2,4-dicarboxylic acid
CID 12665464
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
3-(2-fluorophenyl)naphthalene-2-carboxylic acid
CID 171127463

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-fluorophenyl)benzoic acid?
The IUPAC name of 3,5-difluoro-4-(2-fluorophenyl)benzoic acid (CID 170919050) is 3,5-difluoro-4-(2-fluorophenyl)benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-(2-fluorophenyl)benzoic acid?
The canonical SMILES for 3,5-difluoro-4-(2-fluorophenyl)benzoic acid is O=C(O)c1cc(F)c(-c2ccccc2F)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2-fluorophenyl)benzoic acid?
The InChIKey is ZMLUDDQKRLVYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-4-2-1-3-8(9)12-10(15)5-7(13(17)18)6-11(12)16/h1-6H,(H,17,18).
What are the key properties of 3,5-difluoro-4-(2-fluorophenyl)benzoic acid?
3,5-difluoro-4-(2-fluorophenyl)benzoic acid has a molecular weight of 252.19 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-fluorophenyl)benzoic acid is sourced from PubChem (CID 170919050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).