(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine

C10H16FN — CID 126537665

IUPAC(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine
SMILESC=CCC(N)C(=C)/C=C(/F)CC
InChIInChI=1S/C10H16FN/c1-4-6-10(12)8(3)7-9(11)5-2/h4,7,10H,1,3,5-6,12H2,2H3/b9-7+
InChIKeyJAWPFDOZIXEJNY-VQHVLOKHSA-N
MW169.24 g/mol
LogP2.71
Rot. Bonds5

About (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine

(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine (PubChem CID 126537665) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine.

Molecular Properties

Compound Name(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine
PubChem CID126537665
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine
SMILESC=CCC(N)C(=C)/C=C(/F)CC
InChIInChI=1S/C10H16FN/c1-4-6-10(12)8(3)7-9(11)5-2/h4,7,10H,1,3,5-6,12H2,2H3/b9-7+
InChIKeyJAWPFDOZIXEJNY-VQHVLOKHSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine 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 (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine?
The IUPAC name of (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine (CID 126537665) is (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine.
What is the SMILES notation for (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine?
The canonical SMILES for (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine is C=CCC(N)C(=C)/C=C(/F)CC.
What is the InChIKey of (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine?
The InChIKey is JAWPFDOZIXEJNY-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-6-10(12)8(3)7-9(11)5-2/h4,7,10H,1,3,5-6,12H2,2H3/b9-7+.
What are the key properties of (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine?
(6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine has a molecular weight of 169.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-fluoro-5-methylidenenona-1,6-dien-4-amine is sourced from PubChem (CID 126537665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).