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

C13H7F4NO2 — CID 63538858

IUPAC3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
SMILESO=C(O)c1cccc(F)c1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H7F4NO2/c14-6-4-9(16)11(17)10(5-6)18-12-7(13(19)20)2-1-3-8(12)15/h1-5,18H,(H,19,20)
InChIKeyDKSLRTGMEPHDBD-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.68
Rot. Bonds3

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

3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid (PubChem CID 63538858) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
PubChem CID63538858
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
SMILESO=C(O)c1cccc(F)c1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C13H7F4NO2/c14-6-4-9(16)11(17)10(5-6)18-12-7(13(19)20)2-1-3-8(12)15/h1-5,18H,(H,19,20)
InChIKeyDKSLRTGMEPHDBD-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.68
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

2-(2,3,5-trifluoroanilino)benzoic acid
CID 62813738
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
2-(2,5-dimethylanilino)-3-fluorobenzoic acid
CID 63538460
5-amino-3-chloro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 107195694
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
CID 110453077
2-(4-bromo-2,3-dichloroanilino)-3-fluorobenzoic acid
CID 107791147
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
CID 115540640

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid?
The IUPAC name of 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid (CID 63538858) is 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid is O=C(O)c1cccc(F)c1Nc1cc(F)cc(F)c1F.
What is the InChIKey of 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid?
The InChIKey is DKSLRTGMEPHDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-6-4-9(16)11(17)10(5-6)18-12-7(13(19)20)2-1-3-8(12)15/h1-5,18H,(H,19,20).
What are the key properties of 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid?
3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid has a molecular weight of 285.20 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid is sourced from PubChem (CID 63538858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).