4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid

C8H5F4NO2 — CID 19986954

IUPAC4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid
SMILESNc1cc(F)c(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C8H5F4NO2/c9-5-2-3(13)1-4(8(10,11)12)6(5)7(14)15/h1-2H,13H2,(H,14,15)
InChIKeyFPGNOJDECIHQTE-UHFFFAOYSA-N
MW223.12 g/mol
LogP2.12
Rot. Bonds1

About 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid

4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid (PubChem CID 19986954) has the molecular formula C8H5F4NO2 and a molecular weight of 223.12 g/mol. Its IUPAC name is 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid
PubChem CID19986954
Molecular FormulaC8H5F4NO2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC Name4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid
SMILESNc1cc(F)c(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C8H5F4NO2/c9-5-2-3(13)1-4(8(10,11)12)6(5)7(14)15/h1-2H,13H2,(H,14,15)
InChIKeyFPGNOJDECIHQTE-UHFFFAOYSA-N
XLogP2.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2-fluoro-6-(trifluoromethyl)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

4-amino-2,6-difluoro-3-(trifluoromethyl)benzoic acid
CID 19986955
5-amino-2-chloro-3-(trifluoromethyl)benzoic acid
CID 134413268
2,4,6-trifluoro-3-(trifluoromethyl)benzoic acid
CID 2777996
4-[4-carboxy-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)phenyl]-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)benzoic acid
CID 22908516
5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 82386002
2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
CID 54312938
2-amino-6-(trifluoromethyl)benzoic acid;trihydrate
CID 44784805
4-amino-3-bromo-5-(trifluoromethyl)benzoic acid;hydrochloride
CID 70624038
6-bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
CID 10171656
4-fluoro-5-sulfamoyl-2-(trifluoromethyl)benzoic acid
CID 22101420
5-amino-2,3-bis(trifluoromethyl)benzoyl chloride
CID 134629225
2-amino-4-bromo-6-fluorobenzoic acid
CID 67257607

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid (CID 19986954) is 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid is Nc1cc(F)c(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid?
The InChIKey is FPGNOJDECIHQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2/c9-5-2-3(13)1-4(8(10,11)12)6(5)7(14)15/h1-2H,13H2,(H,14,15).
What are the key properties of 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid?
4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid has a molecular weight of 223.12 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-6-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 19986954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).