5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid

C13H6F4O2 — CID 53211223

IUPAC5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F4O2/c14-6-1-2-8(9(3-6)13(18)19)12-10(16)4-7(15)5-11(12)17/h1-5H,(H,18,19)
InChIKeyHWZRMIYGQOOQRC-UHFFFAOYSA-N
MW270.18 g/mol
LogP3.61
Rot. Bonds2

About 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid

5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid (PubChem CID 53211223) has the molecular formula C13H6F4O2 and a molecular weight of 270.18 g/mol. Its IUPAC name is 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
PubChem CID53211223
Molecular FormulaC13H6F4O2
Molecular Weight270.18 g/mol
Exact Mass270.03
IUPAC Name5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1-c1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F4O2/c14-6-1-2-8(9(3-6)13(18)19)12-10(16)4-7(15)5-11(12)17/h1-5H,(H,18,19)
InChIKeyHWZRMIYGQOOQRC-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

Analyze 5-fluoro-2-(2,4,6-trifluorophenyl)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

5-fluoro-2-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225681
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
5-fluoro-2-(2,3,4,6-tetrachlorophenyl)benzoic acid
CID 105349853
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
CID 114068675
2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
3-(2-carboxy-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117378288

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid (CID 53211223) is 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid is O=C(O)c1cc(F)ccc1-c1c(F)cc(F)cc1F.
What is the InChIKey of 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid?
The InChIKey is HWZRMIYGQOOQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4O2/c14-6-1-2-8(9(3-6)13(18)19)12-10(16)4-7(15)5-11(12)17/h1-5H,(H,18,19).
What are the key properties of 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid?
5-fluoro-2-(2,4,6-trifluorophenyl)benzoic 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 5-fluoro-2-(2,4,6-trifluorophenyl)benzoic acid is sourced from PubChem (CID 53211223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).