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

C13H7F3O2 — CID 53225927

IUPAC4-(2,3-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cccc(F)c2F)cc1F
InChIInChI=1S/C13H7F3O2/c14-10-3-1-2-8(12(10)16)7-4-5-9(13(17)18)11(15)6-7/h1-6H,(H,17,18)
InChIKeyWRJGBZOEYVPCEP-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

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

4-(2,3-difluorophenyl)-2-fluorobenzoic acid (PubChem CID 53225927) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2-fluorobenzoic acid
PubChem CID53225927
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name4-(2,3-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cccc(F)c2F)cc1F
InChIInChI=1S/C13H7F3O2/c14-10-3-1-2-8(12(10)16)7-4-5-9(13(17)18)11(15)6-7/h1-6H,(H,17,18)
InChIKeyWRJGBZOEYVPCEP-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

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4-(2-acetylphenyl)-2-fluorobenzoic acid
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CID 113242003
4-(2-fluorophenyl)phthalic acid
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2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
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5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
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2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-fluoro-4-isoquinolin-5-ylbenzoic acid
CID 62811951
4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
CID 114746359
5-(2,3-difluorophenyl)-1-ethylindole-3-carboxylic acid
CID 172654770
2-fluoro-4-(2-fluoro-5-methylphenyl)benzoic acid
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4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2,3-difluorophenyl)-2-fluorobenzoic acid (CID 53225927) is 4-(2,3-difluorophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2,3-difluorophenyl)-2-fluorobenzoic acid is O=C(O)c1ccc(-c2cccc(F)c2F)cc1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-2-fluorobenzoic acid?
The InChIKey is WRJGBZOEYVPCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-10-3-1-2-8(12(10)16)7-4-5-9(13(17)18)11(15)6-7/h1-6H,(H,17,18).
What are the key properties of 4-(2,3-difluorophenyl)-2-fluorobenzoic acid?
4-(2,3-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-(2,3-difluorophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53225927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).