N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C7H6F3NOS — CID 21962675

IUPACN-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESC1=CSC(=C1)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)4-11-6(12)5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChIKeyOEKSZICJVPCAAY-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.30
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 21962675) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID21962675
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC NameN-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESC1=CSC(=C1)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)4-11-6(12)5-2-1-3-13-5/h1-3H,4H2,(H,11,12)
InChIKeyOEKSZICJVPCAAY-UHFFFAOYSA-N
XLogP2.30
TPSA57.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity195

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2,2-trifluoroethyl)thiophene-2-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 N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 21962675) is N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is C1=CSC(=C1)C(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is OEKSZICJVPCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)4-11-6(12)5-2-1-3-13-5/h1-3H,4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 209.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 21962675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).