(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine

C9H12F3N — CID 166907410

IUPAC(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine
SMILESC/C=C\C/C=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-4-5-6-13-7-8(2)9(10,11)12/h3-4,6-7H,5H2,1-2H3/b4-3-,8-7+,13-6+
InChIKeyNJALPSMTEUNWIX-VYONWQBCSA-N
MW191.20 g/mol
LogP3.49
Rot. Bonds3

About (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine

(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine (PubChem CID 166907410) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine
PubChem CID166907410
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine
SMILESC/C=C\C/C=N/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-4-5-6-13-7-8(2)9(10,11)12/h3-4,6-7H,5H2,1-2H3/b4-3-,8-7+,13-6+
InChIKeyNJALPSMTEUNWIX-VYONWQBCSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-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 (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine?
The IUPAC name of (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine (CID 166907410) is (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine is C/C=C\C/C=N/C=C(\C)C(F)(F)F.
What is the InChIKey of (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine?
The InChIKey is NJALPSMTEUNWIX-VYONWQBCSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-4-5-6-13-7-8(2)9(10,11)12/h3-4,6-7H,5H2,1-2H3/b4-3-,8-7+,13-6+.
What are the key properties of (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine?
(Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-3-en-1-imine is sourced from PubChem (CID 166907410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).