2-(2,3,5-trifluoroanilino)benzoic acid

C13H8F3NO2 — CID 62813738

IUPAC2-(2,3,5-trifluoroanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H8F3NO2/c14-7-5-9(15)12(16)11(6-7)17-10-4-2-1-3-8(10)13(18)19/h1-6,17H,(H,18,19)
InChIKeyYIXLKKMOYLHMFE-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.55
Rot. Bonds3

About 2-(2,3,5-trifluoroanilino)benzoic acid

2-(2,3,5-trifluoroanilino)benzoic acid (PubChem CID 62813738) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-(2,3,5-trifluoroanilino)benzoic acid.

Molecular Properties

Compound Name2-(2,3,5-trifluoroanilino)benzoic acid
PubChem CID62813738
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name2-(2,3,5-trifluoroanilino)benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H8F3NO2/c14-7-5-9(15)12(16)11(6-7)17-10-4-2-1-3-8(10)13(18)19/h1-6,17H,(H,18,19)
InChIKeyYIXLKKMOYLHMFE-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 63538858
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-(2,3,5-trifluoroanilino)benzenecarbothioamide
CID 55119267
2-(2,5-difluoro-4-methylanilino)benzoic acid
CID 103586340
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
1-fluoro-2-(2,3,5-trifluorophenyl)hydrazine;oxalic acid
CID 174887375
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trifluoroanilino)benzoic acid?
The IUPAC name of 2-(2,3,5-trifluoroanilino)benzoic acid (CID 62813738) is 2-(2,3,5-trifluoroanilino)benzoic acid.
What is the SMILES notation for 2-(2,3,5-trifluoroanilino)benzoic acid?
The canonical SMILES for 2-(2,3,5-trifluoroanilino)benzoic acid is O=C(O)c1ccccc1Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5-trifluoroanilino)benzoic acid?
The InChIKey is YIXLKKMOYLHMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-7-5-9(15)12(16)11(6-7)17-10-4-2-1-3-8(10)13(18)19/h1-6,17H,(H,18,19).
What are the key properties of 2-(2,3,5-trifluoroanilino)benzoic acid?
2-(2,3,5-trifluoroanilino)benzoic acid has a molecular weight of 267.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trifluoroanilino)benzoic acid is sourced from PubChem (CID 62813738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).