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

C13H6F4O2 — CID 118807060

IUPAC2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(F)cc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F4O2/c14-9-3-1-2-6(12(9)17)7-4-10(15)11(16)5-8(7)13(18)19/h1-5H,(H,18,19)
InChIKeyMANSHNUVQMRTGX-UHFFFAOYSA-N
MW270.18 g/mol
LogP3.61
Rot. Bonds2

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

2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid (PubChem CID 118807060) has the molecular formula C13H6F4O2 and a molecular weight of 270.18 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
PubChem CID118807060
Molecular FormulaC13H6F4O2
Molecular Weight270.18 g/mol
Exact Mass270.03
IUPAC Name2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
SMILESO=C(O)c1cc(F)c(F)cc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F4O2/c14-9-3-1-2-6(12(9)17)7-4-10(15)11(16)5-8(7)13(18)19/h1-5H,(H,18,19)
InChIKeyMANSHNUVQMRTGX-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
2-(2,3-difluorophenyl)-5-methylbenzoic acid
CID 53225918
methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
3-(2-fluorophenyl)naphthalene-2-carboxylic acid
CID 171127463
2-(2,3-difluorophenyl)-4-fluorobenzamide
CID 134628957
3-(2,5-difluoro-4-methylphenyl)-2-fluorobenzoic acid
CID 107957745
4,5-difluoro-2-pyrimidin-2-ylbenzoic acid
CID 134279149
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid (CID 118807060) is 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid is O=C(O)c1cc(F)c(F)cc1-c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid?
The InChIKey is MANSHNUVQMRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4O2/c14-9-3-1-2-6(12(9)17)7-4-10(15)11(16)5-8(7)13(18)19/h1-5H,(H,18,19).
What are the key properties of 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid?
2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid has a molecular weight of 270.18 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid is sourced from PubChem (CID 118807060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).