5-(2,4-difluorophenyl)-2-fluorobenzoic acid

C13H7F3O2 — CID 53211194

IUPAC5-(2,4-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C13H7F3O2/c14-8-2-3-9(12(16)6-8)7-1-4-11(15)10(5-7)13(17)18/h1-6H,(H,17,18)
InChIKeyMEZXYMGJTLFUBC-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

About 5-(2,4-difluorophenyl)-2-fluorobenzoic acid

5-(2,4-difluorophenyl)-2-fluorobenzoic acid (PubChem CID 53211194) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-fluorobenzoic acid
PubChem CID53211194
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name5-(2,4-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C13H7F3O2/c14-8-2-3-9(12(16)6-8)7-1-4-11(15)10(5-7)13(17)18/h1-6H,(H,17,18)
InChIKeyMEZXYMGJTLFUBC-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 5-(2,4-difluorophenyl)-2-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-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
5-(2,4-difluorophenyl)-2-propylbenzoic acid
CID 130399404
5-(2,4-difluorophenyl)-2-(2-sulfanylethyl)benzoic acid
CID 145031901
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740
2-[8-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]octoxy]-5-(2,4-difluorophenyl)benzoic acid
CID 11763391
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
5-(2,4-difluorophenyl)-2-methylsulfanylcarbonyloxybenzoic acid
CID 144552933
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid
CID 154572888
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-fluorobenzoic acid?
The IUPAC name of 5-(2,4-difluorophenyl)-2-fluorobenzoic acid (CID 53211194) is 5-(2,4-difluorophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-fluorobenzoic acid is O=C(O)c1cc(-c2ccc(F)cc2F)ccc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-fluorobenzoic acid?
The InChIKey is MEZXYMGJTLFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-8-2-3-9(12(16)6-8)7-1-4-11(15)10(5-7)13(17)18/h1-6H,(H,17,18).
What are the key properties of 5-(2,4-difluorophenyl)-2-fluorobenzoic acid?
5-(2,4-difluorophenyl)-2-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 5-(2,4-difluorophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53211194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).