4-(3,5-difluorophenyl)-2-fluorobenzoic acid

C13H7F3O2 — CID 53211091

IUPAC4-(3,5-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C13H7F3O2/c14-9-3-8(4-10(15)6-9)7-1-2-11(13(17)18)12(16)5-7/h1-6H,(H,17,18)
InChIKeyQLAKXJKAHWLDKM-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

About 4-(3,5-difluorophenyl)-2-fluorobenzoic acid

4-(3,5-difluorophenyl)-2-fluorobenzoic acid (PubChem CID 53211091) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-2-fluorobenzoic acid
PubChem CID53211091
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name4-(3,5-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C13H7F3O2/c14-9-3-8(4-10(15)6-9)7-1-2-11(13(17)18)12(16)5-7/h1-6H,(H,17,18)
InChIKeyQLAKXJKAHWLDKM-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

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Related Compounds

4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid
CID 53227368
2-fluoro-4-(4-methylsulfanylphenyl)benzoic acid
CID 53226428
5-(4-carboxy-3-fluorophenyl)pyridine-2-carboxylic acid
CID 53223825
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
4-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoic acid
CID 53227808
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333287
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222099
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(3,5-difluorophenyl)-2-fluorobenzoic acid (CID 53211091) is 4-(3,5-difluorophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(3,5-difluorophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(3,5-difluorophenyl)-2-fluorobenzoic acid is O=C(O)c1ccc(-c2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 4-(3,5-difluorophenyl)-2-fluorobenzoic acid?
The InChIKey is QLAKXJKAHWLDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-3-8(4-10(15)6-9)7-1-2-11(13(17)18)12(16)5-7/h1-6H,(H,17,18).
What are the key properties of 4-(3,5-difluorophenyl)-2-fluorobenzoic acid?
4-(3,5-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 4-(3,5-difluorophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53211091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).