(Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine

C7H9F3N2 — CID 167231753

IUPAC(Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-3-12-6(4-5(2)11)7(8,9)10/h3-4,11H,1-2H3/b6-4-,11-5+,12-3+
InChIKeyLENLNFIJRZHPRF-CBOGCKDMSA-N
MW178.16 g/mol
LogP2.56
Rot. Bonds2

About (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine

(Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine (PubChem CID 167231753) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine
PubChem CID167231753
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine
SMILES[H]/N=C(C)/C=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-3-12-6(4-5(2)11)7(8,9)10/h3-4,11H,1-2H3/b6-4-,11-5+,12-3+
InChIKeyLENLNFIJRZHPRF-CBOGCKDMSA-N
XLogP2.56
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine 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)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine?
The IUPAC name of (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine (CID 167231753) is (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine?
The canonical SMILES for (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine is [H]/N=C(C)/C=C(\N=C\C)C(F)(F)F.
What is the InChIKey of (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine?
The InChIKey is LENLNFIJRZHPRF-CBOGCKDMSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-3-12-6(4-5(2)11)7(8,9)10/h3-4,11H,1-2H3/b6-4-,11-5+,12-3+.
What are the key properties of (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine?
(Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine has a molecular weight of 178.16 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-ethylidene-5,5,5-trifluoropent-3-ene-2,4-diimine is sourced from PubChem (CID 167231753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).