(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine

C15H20FN — CID 163590444

IUPAC(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
SMILESC=CC(=C/C=C(\F)C(=C)C)/C(/C=C\CC)=N/C
InChIInChI=1S/C15H20FN/c1-6-8-9-15(17-5)13(7-2)10-11-14(16)12(3)4/h7-11H,2-3,6H2,1,4-5H3/b9-8-,13-10-,14-11-,17-15+
InChIKeyGPCONZCIFJIOMM-ZFWNKZJESA-N
MW233.33 g/mol
LogP4.57
Rot. Bonds6

About (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine

(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine (PubChem CID 163590444) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine.

Molecular Properties

Compound Name(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
PubChem CID163590444
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
SMILESC=CC(=C/C=C(\F)C(=C)C)/C(/C=C\CC)=N/C
InChIInChI=1S/C15H20FN/c1-6-8-9-15(17-5)13(7-2)10-11-14(16)12(3)4/h7-11H,2-3,6H2,1,4-5H3/b9-8-,13-10-,14-11-,17-15+
InChIKeyGPCONZCIFJIOMM-ZFWNKZJESA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.57
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,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-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,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine?
The IUPAC name of (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine (CID 163590444) is (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine.
What is the SMILES notation for (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine?
The canonical SMILES for (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine is C=CC(=C/C=C(\F)C(=C)C)/C(/C=C\CC)=N/C.
What is the InChIKey of (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine?
The InChIKey is GPCONZCIFJIOMM-ZFWNKZJESA-N. The full InChI is InChI=1S/C15H20FN/c1-6-8-9-15(17-5)13(7-2)10-11-14(16)12(3)4/h7-11H,2-3,6H2,1,4-5H3/b9-8-,13-10-,14-11-,17-15+.
What are the key properties of (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine?
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine has a molecular weight of 233.33 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine is sourced from PubChem (CID 163590444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).