5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid

C12H8F3NO3 — CID 55050131

IUPAC5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)7-3-1-2-4-8(7)16-10-6-5-9(19-10)11(17)18/h1-6,16H,(H,17,18)
InChIKeyCGRZMYZYNJICAA-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.74
Rot. Bonds3

About 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid

5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid (PubChem CID 55050131) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid
PubChem CID55050131
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)7-3-1-2-4-8(7)16-10-6-5-9(19-10)11(17)18/h1-6,16H,(H,17,18)
InChIKeyCGRZMYZYNJICAA-UHFFFAOYSA-N
XLogP3.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid (CID 55050131) is 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid is O=C(O)c1ccc(Nc2ccccc2C(F)(F)F)o1.
What is the InChIKey of 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid?
The InChIKey is CGRZMYZYNJICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c13-12(14,15)7-3-1-2-4-8(7)16-10-6-5-9(19-10)11(17)18/h1-6,16H,(H,17,18).
What are the key properties of 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid?
5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid has a molecular weight of 271.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)anilino]furan-2-carboxylic acid is sourced from PubChem (CID 55050131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).