(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine

C11H16FN — CID 166907396

IUPAC(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
SMILES[H]/N=C/C(/C=C\C(=C)CCC)=C(/C)F
InChIInChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-13)10(3)12/h6-8,13H,2,4-5H2,1,3H3/b7-6-,11-10-,13-8+
InChIKeyAEFNNNBFHKHEKU-SIRAJAELSA-N
MW181.25 g/mol
LogP3.79
Rot. Bonds5

About (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine

(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine (PubChem CID 166907396) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine.

Molecular Properties

Compound Name(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
PubChem CID166907396
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
SMILES[H]/N=C/C(/C=C\C(=C)CCC)=C(/C)F
InChIInChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-13)10(3)12/h6-8,13H,2,4-5H2,1,3H3/b7-6-,11-10-,13-8+
InChIKeyAEFNNNBFHKHEKU-SIRAJAELSA-N
XLogP3.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-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,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
The IUPAC name of (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine (CID 166907396) is (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine.
What is the SMILES notation for (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
The canonical SMILES for (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine is [H]/N=C/C(/C=C\C(=C)CCC)=C(/C)F.
What is the InChIKey of (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
The InChIKey is AEFNNNBFHKHEKU-SIRAJAELSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-13)10(3)12/h6-8,13H,2,4-5H2,1,3H3/b7-6-,11-10-,13-8+.
What are the key properties of (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine?
(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine has a molecular weight of 181.25 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine is sourced from PubChem (CID 166907396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).