(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine

C7H8F3N — CID 167158578

IUPAC(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine
SMILESC=C/N=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-6(5-11-4-2)7(8,9)10/h3-5H,2H2,1H3/b6-3+,11-5+
InChIKeyWBWMMKUNANLUJD-IQWGBCIFSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine

(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine (PubChem CID 167158578) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine
PubChem CID167158578
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine
SMILESC=C/N=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-6(5-11-4-2)7(8,9)10/h3-5H,2H2,1H3/b6-3+,11-5+
InChIKeyWBWMMKUNANLUJD-IQWGBCIFSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine 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)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine (CID 167158578) is (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine is C=C/N=C/C(=C\C)C(F)(F)F.
What is the InChIKey of (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine?
The InChIKey is WBWMMKUNANLUJD-IQWGBCIFSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-6(5-11-4-2)7(8,9)10/h3-5H,2H2,1H3/b6-3+,11-5+.
What are the key properties of (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine?
(E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-(trifluoromethyl)but-2-en-1-imine is sourced from PubChem (CID 167158578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).