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

C13H7F3O2 — CID 113242003

IUPAC3-(2,3-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(-c2cccc(F)c2F)c1F
InChIInChI=1S/C13H7F3O2/c14-10-6-2-4-8(12(10)16)7-3-1-5-9(11(7)15)13(17)18/h1-6H,(H,17,18)
InChIKeyCLFQJMJDXJAQCJ-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.47
Rot. Bonds2

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

3-(2,3-difluorophenyl)-2-fluorobenzoic acid (PubChem CID 113242003) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-2-fluorobenzoic acid
PubChem CID113242003
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name3-(2,3-difluorophenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(-c2cccc(F)c2F)c1F
InChIInChI=1S/C13H7F3O2/c14-10-6-2-4-8(12(10)16)7-3-1-5-9(11(7)15)13(17)18/h1-6H,(H,17,18)
InChIKeyCLFQJMJDXJAQCJ-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

2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
CID 118807060
2-(2,3-difluorophenyl)-5-methylbenzoic acid
CID 53225918
3-(2,5-difluoro-4-methylphenyl)-2-fluorobenzoic acid
CID 107957745
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
5-(2,3-difluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810701
3-(2-chloro-4,5-dimethylphenyl)-2-fluorobenzoic acid
CID 107957755
2-fluoro-3-(1H-pyrazol-5-yl)benzoic acid
CID 163206772
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 59226502
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 119009735
2-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 107957266

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-2-fluorobenzoic acid?
The IUPAC name of 3-(2,3-difluorophenyl)-2-fluorobenzoic acid (CID 113242003) is 3-(2,3-difluorophenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 3-(2,3-difluorophenyl)-2-fluorobenzoic acid?
The canonical SMILES for 3-(2,3-difluorophenyl)-2-fluorobenzoic acid is O=C(O)c1cccc(-c2cccc(F)c2F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-2-fluorobenzoic acid?
The InChIKey is CLFQJMJDXJAQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-10-6-2-4-8(12(10)16)7-3-1-5-9(11(7)15)13(17)18/h1-6H,(H,17,18).
What are the key properties of 3-(2,3-difluorophenyl)-2-fluorobenzoic acid?
3-(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 3-(2,3-difluorophenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 113242003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).