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

C13H7F3O2 — CID 134630571

IUPAC2-(2,3-difluorophenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1-c1cccc(F)c1F
InChIInChI=1S/C13H7F3O2/c14-9-5-2-4-8(13(17)18)11(9)7-3-1-6-10(15)12(7)16/h1-6H,(H,17,18)
InChIKeyXPPNPNNGVXWPOJ-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

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

2-(2,3-difluorophenyl)-3-fluorobenzoic acid (PubChem CID 134630571) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-3-fluorobenzoic acid
PubChem CID134630571
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name2-(2,3-difluorophenyl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1-c1cccc(F)c1F
InChIInChI=1S/C13H7F3O2/c14-9-5-2-4-8(13(17)18)11(9)7-3-1-6-10(15)12(7)16/h1-6H,(H,17,18)
InChIKeyXPPNPNNGVXWPOJ-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-(2,3-difluorophenyl)-3-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-3-fluorobenzoic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-3-fluorobenzoic acid (CID 134630571) is 2-(2,3-difluorophenyl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-3-fluorobenzoic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1-c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-3-fluorobenzoic acid?
The InChIKey is XPPNPNNGVXWPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-5-2-4-8(13(17)18)11(9)7-3-1-6-10(15)12(7)16/h1-6H,(H,17,18).
What are the key properties of 2-(2,3-difluorophenyl)-3-fluorobenzoic acid?
2-(2,3-difluorophenyl)-3-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-(2,3-difluorophenyl)-3-fluorobenzoic acid is sourced from PubChem (CID 134630571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).