5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid

C13H8F2O3 — CID 53225681

IUPAC5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc(F)cc1O
InChIInChI=1S/C13H8F2O3/c14-7-1-3-9(11(5-7)13(17)18)10-4-2-8(15)6-12(10)16/h1-6,16H,(H,17,18)
InChIKeyVVKZLSWLYZPWGT-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.04
Rot. Bonds2

About 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid

5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid (PubChem CID 53225681) has the molecular formula C13H8F2O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
PubChem CID53225681
Molecular FormulaC13H8F2O3
Molecular Weight250.20 g/mol
Exact Mass250.04
IUPAC Name5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1ccc(F)cc1O
InChIInChI=1S/C13H8F2O3/c14-7-1-3-9(11(5-7)13(17)18)10-4-2-8(15)6-12(10)16/h1-6,16H,(H,17,18)
InChIKeyVVKZLSWLYZPWGT-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)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-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
2-chloro-5-(4-fluoro-2-hydroxyphenyl)pyridine-4-carboxylic acid
CID 53222942
5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
CID 53211223
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
5-amino-2-(4-fluoro-2-hydroxyphenyl)-3-methylbenzoic acid
CID 123540675
5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid
CID 66271663
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid (CID 53225681) is 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid is O=C(O)c1cc(F)ccc1-c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid?
The InChIKey is VVKZLSWLYZPWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O3/c14-7-1-3-9(11(5-7)13(17)18)10-4-2-8(15)6-12(10)16/h1-6,16H,(H,17,18).
What are the key properties of 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid?
5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid has a molecular weight of 250.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 53225681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).