2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid

C11H8FNO2S — CID 3597014

IUPAC2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid
SMILESNc1scc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C11H8FNO2S/c12-7-3-1-6(2-4-7)8-5-16-10(13)9(8)11(14)15/h1-5H,13H2,(H,14,15)
InChIKeyNBUHILSMRICJEC-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid

2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid (PubChem CID 3597014) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid
PubChem CID3597014
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid
SMILESNc1scc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C11H8FNO2S/c12-7-3-1-6(2-4-7)8-5-16-10(13)9(8)11(14)15/h1-5H,13H2,(H,14,15)
InChIKeyNBUHILSMRICJEC-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-(4-fluorophenyl)thiophene-3-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 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid (CID 3597014) is 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid is Nc1scc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid?
The InChIKey is NBUHILSMRICJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c12-7-3-1-6(2-4-7)8-5-16-10(13)9(8)11(14)15/h1-5H,13H2,(H,14,15).
What are the key properties of 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid?
2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 3597014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).