2-(3,4-difluorophenyl)-6-fluorobenzoic acid

C13H7F3O2 — CID 53225881

IUPAC2-(3,4-difluorophenyl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3O2/c14-9-5-4-7(6-11(9)16)8-2-1-3-10(15)12(8)13(17)18/h1-6H,(H,17,18)
InChIKeyHQGDJPYBBYBUIW-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

About 2-(3,4-difluorophenyl)-6-fluorobenzoic acid

2-(3,4-difluorophenyl)-6-fluorobenzoic acid (PubChem CID 53225881) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-fluorobenzoic acid
PubChem CID53225881
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name2-(3,4-difluorophenyl)-6-fluorobenzoic acid
SMILESO=C(O)c1c(F)cccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H7F3O2/c14-9-5-4-7(6-11(9)16)8-2-1-3-10(15)12(8)13(17)18/h1-6H,(H,17,18)
InChIKeyHQGDJPYBBYBUIW-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 2-(3,4-difluorophenyl)-6-fluorobenzoic 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-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
2-fluoro-6-(2-methyl-4-pyridinyl)benzoic acid
CID 114560371
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
2-fluoro-6-(3-propylphenyl)benzoic acid
CID 114560373
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
2-(4-ethylsulfanylphenyl)-6-fluorobenzoic acid
CID 53227315
2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-fluorobenzoic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-6-fluorobenzoic acid (CID 53225881) is 2-(3,4-difluorophenyl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-fluorobenzoic acid is O=C(O)c1c(F)cccc1-c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-fluorobenzoic acid?
The InChIKey is HQGDJPYBBYBUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-5-4-7(6-11(9)16)8-2-1-3-10(15)12(8)13(17)18/h1-6H,(H,17,18).
What are the key properties of 2-(3,4-difluorophenyl)-6-fluorobenzoic acid?
2-(3,4-difluorophenyl)-6-fluorobenzoic 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 2-(3,4-difluorophenyl)-6-fluorobenzoic acid is sourced from PubChem (CID 53225881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).