4-fluoro-3-(3-fluorophenyl)benzoic acid

C13H8F2O2 — CID 46312321

IUPAC4-fluoro-3-(3-fluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H8F2O2/c14-10-3-1-2-8(6-10)11-7-9(13(16)17)4-5-12(11)15/h1-7H,(H,16,17)
InChIKeyLUVPUUPVPKVUQI-UHFFFAOYSA-N
MW234.20 g/mol
LogP3.33
Rot. Bonds2

About 4-fluoro-3-(3-fluorophenyl)benzoic acid

4-fluoro-3-(3-fluorophenyl)benzoic acid (PubChem CID 46312321) has the molecular formula C13H8F2O2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 4-fluoro-3-(3-fluorophenyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(3-fluorophenyl)benzoic acid
PubChem CID46312321
Molecular FormulaC13H8F2O2
Molecular Weight234.20 g/mol
Exact Mass234.05
IUPAC Name4-fluoro-3-(3-fluorophenyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H8F2O2/c14-10-3-1-2-8(6-10)11-7-9(13(16)17)4-5-12(11)15/h1-7H,(H,16,17)
InChIKeyLUVPUUPVPKVUQI-UHFFFAOYSA-N
XLogP3.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-3-(3-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

4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
4-fluoro-3-(3-propan-2-ylphenyl)benzoic acid
CID 175665590
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(3-fluorophenyl)-1H-indole-6-carboxylic acid
CID 59625885
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
CID 5127746
3-[2-fluoro-5-[(E)-4-methoxy-4-oxobut-2-en-2-yl]phenyl]benzoic acid
CID 110447244
3-(3-amino-5-carboxyphenyl)-4-fluorobenzoic acid
CID 53227396
3-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzoic acid
CID 107957682
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-fluorophenyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(3-fluorophenyl)benzoic acid (CID 46312321) is 4-fluoro-3-(3-fluorophenyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(3-fluorophenyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(3-fluorophenyl)benzoic acid is O=C(O)c1ccc(F)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-fluoro-3-(3-fluorophenyl)benzoic acid?
The InChIKey is LUVPUUPVPKVUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O2/c14-10-3-1-2-8(6-10)11-7-9(13(16)17)4-5-12(11)15/h1-7H,(H,16,17).
What are the key properties of 4-fluoro-3-(3-fluorophenyl)benzoic acid?
4-fluoro-3-(3-fluorophenyl)benzoic acid has a molecular weight of 234.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-fluorophenyl)benzoic acid is sourced from PubChem (CID 46312321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).