3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid

C12H8F3NO2S — CID 2740235

IUPAC3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESNc1c(C(=O)O)sc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)10-7(6-4-2-1-3-5-6)8(16)9(19-10)11(17)18/h1-5H,16H2,(H,17,18)
InChIKeyBPFFXVCOJJGNQU-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.71
Rot. Bonds2

About 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid

3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 2740235) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
PubChem CID2740235
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESNc1c(C(=O)O)sc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)10-7(6-4-2-1-3-5-6)8(16)9(19-10)11(17)18/h1-5H,16H2,(H,17,18)
InChIKeyBPFFXVCOJJGNQU-UHFFFAOYSA-N
XLogP3.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-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 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid (CID 2740235) is 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid is Nc1c(C(=O)O)sc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is BPFFXVCOJJGNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)10-7(6-4-2-1-3-5-6)8(16)9(19-10)11(17)18/h1-5H,16H2,(H,17,18).
What are the key properties of 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 287.26 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2740235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).