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

C6H4F3NO2S — CID 18434686

IUPAC3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESNc1c(C(F)(F)F)csc1C(=O)O
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)2-1-13-4(3(2)10)5(11)12/h1H,10H2,(H,11,12)
InChIKeyRLTAZLKMIVDKLD-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.05
Rot. Bonds1

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

3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 18434686) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid
PubChem CID18434686
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESNc1c(C(F)(F)F)csc1C(=O)O
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)2-1-13-4(3(2)10)5(11)12/h1H,10H2,(H,11,12)
InChIKeyRLTAZLKMIVDKLD-UHFFFAOYSA-N
XLogP2.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-(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-(trifluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid (CID 18434686) is 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid is Nc1c(C(F)(F)F)csc1C(=O)O.
What is the InChIKey of 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is RLTAZLKMIVDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-6(8,9)2-1-13-4(3(2)10)5(11)12/h1H,10H2,(H,11,12).
What are the key properties of 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid?
3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 211.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 18434686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).