N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine

C11H16FN — CID 123683732

IUPACN-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
SMILESC=CC(F)=CC(=C)CCC/N=C/C
InChIInChI=1S/C11H16FN/c1-4-11(12)9-10(3)7-6-8-13-5-2/h4-5,9H,1,3,6-8H2,2H3/b11-9?,13-5+
InChIKeyGPNKSNNALSLGIZ-UIUHOFDNSA-N
MW181.25 g/mol
LogP3.45
Rot. Bonds6

About N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine

N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine (PubChem CID 123683732) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine.

Molecular Properties

Compound NameN-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
PubChem CID123683732
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
SMILESC=CC(F)=CC(=C)CCC/N=C/C
InChIInChI=1S/C11H16FN/c1-4-11(12)9-10(3)7-6-8-13-5-2/h4-5,9H,1,3,6-8H2,2H3/b11-9?,13-5+
InChIKeyGPNKSNNALSLGIZ-UIUHOFDNSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine?
The IUPAC name of N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine (CID 123683732) is N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine.
What is the SMILES notation for N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine?
The canonical SMILES for N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine is C=CC(F)=CC(=C)CCC/N=C/C.
What is the InChIKey of N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine?
The InChIKey is GPNKSNNALSLGIZ-UIUHOFDNSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-11(12)9-10(3)7-6-8-13-5-2/h4-5,9H,1,3,6-8H2,2H3/b11-9?,13-5+.
What are the key properties of N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine?
N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine has a molecular weight of 181.25 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine is sourced from PubChem (CID 123683732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).