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

C12H18FN — CID 176928626

IUPAC(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C(F)=C\C=C/CCCC
InChIInChI=1S/C12H18FN/c1-3-4-5-6-7-8-12(13)11(2)9-10-14/h6-10,14H,3-5H2,1-2H3/b7-6-,11-9+,12-8+,14-10+
InChIKeyWHSDMLRERNHJNP-BSKPWYJJSA-N
MW195.28 g/mol
LogP4.18
Rot. Bonds6

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

(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine (PubChem CID 176928626) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine
PubChem CID176928626
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C(F)=C\C=C/CCCC
InChIInChI=1S/C12H18FN/c1-3-4-5-6-7-8-12(13)11(2)9-10-14/h6-10,14H,3-5H2,1-2H3/b7-6-,11-9+,12-8+,14-10+
InChIKeyWHSDMLRERNHJNP-BSKPWYJJSA-N
XLogP4.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
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 (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine?
The IUPAC name of (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine (CID 176928626) is (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine is [H]/N=C/C=C(C)/C(F)=C\C=C/CCCC.
What is the InChIKey of (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine?
The InChIKey is WHSDMLRERNHJNP-BSKPWYJJSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-4-5-6-7-8-12(13)11(2)9-10-14/h6-10,14H,3-5H2,1-2H3/b7-6-,11-9+,12-8+,14-10+.
What are the key properties of (2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine?
(2E,4E,6Z)-4-fluoro-3-methylundeca-2,4,6-trien-1-imine has a molecular weight of 195.28 g/mol, XLogP of 4.18, 6 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-methylundeca-2,4,6-trien-1-imine is sourced from PubChem (CID 176928626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).