(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C10H8F3NO — CID 875015

IUPAC(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+
InChIKeyVETMUDCRMKPGOI-SNAWJCMRSA-N
MW215.17 g/mol
LogP2.20
Rot. Bonds2

About (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 875015) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID875015
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+
InChIKeyVETMUDCRMKPGOI-SNAWJCMRSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[3-(trifluoromethyl)phenyl]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 (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 875015) is (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is NC(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is VETMUDCRMKPGOI-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H2,14,15)/b5-4+.
What are the key properties of (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 215.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 875015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).