(2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine

C11H16FN — CID 169165910

IUPAC(2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C(F)=C\C=C/CCC
InChIInChI=1S/C11H16FN/c1-3-4-5-6-7-11(12)10(2)8-9-13/h5-9,13H,3-4H2,1-2H3/b6-5-,10-8+,11-7+,13-9+
InChIKeyKJXAVJKQRCULJP-ONNQKDILSA-N
MW181.25 g/mol
LogP3.79
Rot. Bonds5

About (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine

(2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine (PubChem CID 169165910) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine
PubChem CID169165910
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C(F)=C\C=C/CCC
InChIInChI=1S/C11H16FN/c1-3-4-5-6-7-11(12)10(2)8-9-13/h5-9,13H,3-4H2,1-2H3/b6-5-,10-8+,11-7+,13-9+
InChIKeyKJXAVJKQRCULJP-ONNQKDILSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine?
The IUPAC name of (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine (CID 169165910) is (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine is [H]/N=C/C=C(C)/C(F)=C\C=C/CCC.
What is the InChIKey of (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine?
The InChIKey is KJXAVJKQRCULJP-ONNQKDILSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-4-5-6-7-11(12)10(2)8-9-13/h5-9,13H,3-4H2,1-2H3/b6-5-,10-8+,11-7+,13-9+.
What are the key properties of (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine?
(2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-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 (2E,4E,6Z)-4-fluoro-3-methyldeca-2,4,6-trien-1-imine is sourced from PubChem (CID 169165910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).