4-(trifluoromethyl)thiophene-3-carboxamide

C6H4F3NOS — CID 170999813

IUPAC4-(trifluoromethyl)thiophene-3-carboxamide
SMILESNC(=O)c1cscc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4-2-12-1-3(4)5(10)11/h1-2H,(H2,10,11)
InChIKeySRUDUURGWCNIMT-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.87
Rot. Bonds1

About 4-(trifluoromethyl)thiophene-3-carboxamide

4-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 170999813) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID170999813
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name4-(trifluoromethyl)thiophene-3-carboxamide
SMILESNC(=O)c1cscc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4-2-12-1-3(4)5(10)11/h1-2H,(H2,10,11)
InChIKeySRUDUURGWCNIMT-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)thiophene-3-carboxamide 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 4-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of 4-(trifluoromethyl)thiophene-3-carboxamide (CID 170999813) is 4-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)thiophene-3-carboxamide is NC(=O)c1cscc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is SRUDUURGWCNIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)4-2-12-1-3(4)5(10)11/h1-2H,(H2,10,11).
What are the key properties of 4-(trifluoromethyl)thiophene-3-carboxamide?
4-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 195.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 170999813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).