(Z)-2-(trifluoromethyl)but-2-enamide

C5H6F3NO — CID 89116598

IUPAC(Z)-2-(trifluoromethyl)but-2-enamide
SMILESC/C=C(/C(N)=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3(4(9)10)5(6,7)8/h2H,1H3,(H2,9,10)/b3-2-
InChIKeyNNHVZPLNVJXVKP-IHWYPQMZSA-N
MW153.10 g/mol
LogP0.98
Rot. Bonds1

About (Z)-2-(trifluoromethyl)but-2-enamide

(Z)-2-(trifluoromethyl)but-2-enamide (PubChem CID 89116598) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is (Z)-2-(trifluoromethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-(trifluoromethyl)but-2-enamide
PubChem CID89116598
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name(Z)-2-(trifluoromethyl)but-2-enamide
SMILESC/C=C(/C(N)=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-2-3(4(9)10)5(6,7)8/h2H,1H3,(H2,9,10)/b3-2-
InChIKeyNNHVZPLNVJXVKP-IHWYPQMZSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-(trifluoromethyl)but-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 (Z)-2-(trifluoromethyl)but-2-enamide?
The IUPAC name of (Z)-2-(trifluoromethyl)but-2-enamide (CID 89116598) is (Z)-2-(trifluoromethyl)but-2-enamide.
What is the SMILES notation for (Z)-2-(trifluoromethyl)but-2-enamide?
The canonical SMILES for (Z)-2-(trifluoromethyl)but-2-enamide is C/C=C(/C(N)=O)C(F)(F)F.
What is the InChIKey of (Z)-2-(trifluoromethyl)but-2-enamide?
The InChIKey is NNHVZPLNVJXVKP-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-2-3(4(9)10)5(6,7)8/h2H,1H3,(H2,9,10)/b3-2-.
What are the key properties of (Z)-2-(trifluoromethyl)but-2-enamide?
(Z)-2-(trifluoromethyl)but-2-enamide has a molecular weight of 153.10 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(trifluoromethyl)but-2-enamide is sourced from PubChem (CID 89116598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).