(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine

C11H14FN — CID 166976493

IUPAC(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
SMILESC=C=C/C(CC)=C(F)/C(C)=N/C=C
InChIInChI=1S/C11H14FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h7-8H,1,3,6H2,2,4H3/b11-10-,13-9+
InChIKeyOQENLJUMWFCBPZ-HBUXTHHFSA-N
MW179.24 g/mol
LogP3.57
Rot. Bonds4

About (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine

(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine (PubChem CID 166976493) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
PubChem CID166976493
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
SMILESC=C=C/C(CC)=C(F)/C(C)=N/C=C
InChIInChI=1S/C11H14FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h7-8H,1,3,6H2,2,4H3/b11-10-,13-9+
InChIKeyOQENLJUMWFCBPZ-HBUXTHHFSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-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 (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
The IUPAC name of (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine (CID 166976493) is (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine.
What is the SMILES notation for (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
The canonical SMILES for (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine is C=C=C/C(CC)=C(F)/C(C)=N/C=C.
What is the InChIKey of (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
The InChIKey is OQENLJUMWFCBPZ-HBUXTHHFSA-N. The full InChI is InChI=1S/C11H14FN/c1-5-8-10(6-2)11(12)9(4)13-7-3/h7-8H,1,3,6H2,2,4H3/b11-10-,13-9+.
What are the key properties of (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine?
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine has a molecular weight of 179.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine is sourced from PubChem (CID 166976493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).