3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide

C8H6F3NOS — CID 174559289

IUPAC3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide
SMILESO=C(C=Cc1cccs1)NC(F)(F)F
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)12-7(13)4-3-6-2-1-5-14-6/h1-5H,(H,12,13)
InChIKeyRXWHAWUYLUCWDR-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.40
Rot. Bonds2

About 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide

3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide (PubChem CID 174559289) has the molecular formula C8H6F3NOS and a molecular weight of 221.20 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide
PubChem CID174559289
Molecular FormulaC8H6F3NOS
Molecular Weight221.20 g/mol
Exact Mass221.01
IUPAC Name3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide
SMILESO=C(C=Cc1cccs1)NC(F)(F)F
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)12-7(13)4-3-6-2-1-5-14-6/h1-5H,(H,12,13)
InChIKeyRXWHAWUYLUCWDR-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide 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-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide?
The IUPAC name of 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide (CID 174559289) is 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide is O=C(C=Cc1cccs1)NC(F)(F)F.
What is the InChIKey of 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide?
The InChIKey is RXWHAWUYLUCWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NOS/c9-8(10,11)12-7(13)4-3-6-2-1-5-14-6/h1-5H,(H,12,13).
What are the key properties of 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide?
3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide has a molecular weight of 221.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-N-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 174559289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).