(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine

C12H18FN — CID 153384496

IUPAC(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
SMILESC=C(F)/C=C\C=C(/C)C/C(CC)=N/C
InChIInChI=1S/C12H18FN/c1-5-12(14-4)9-10(2)7-6-8-11(3)13/h6-8H,3,5,9H2,1-2,4H3/b8-6-,10-7+,14-12+
InChIKeyRQPOKOCEESGAGJ-SHBJENAYSA-N
MW195.28 g/mol
LogP3.84
Rot. Bonds5

About (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine

(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine (PubChem CID 153384496) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine.

Molecular Properties

Compound Name(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
PubChem CID153384496
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
SMILESC=C(F)/C=C\C=C(/C)C/C(CC)=N/C
InChIInChI=1S/C12H18FN/c1-5-12(14-4)9-10(2)7-6-8-11(3)13/h6-8H,3,5,9H2,1-2,4H3/b8-6-,10-7+,14-12+
InChIKeyRQPOKOCEESGAGJ-SHBJENAYSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.84
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine?
The IUPAC name of (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine (CID 153384496) is (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine.
What is the SMILES notation for (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine?
The canonical SMILES for (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine is C=C(F)/C=C\C=C(/C)C/C(CC)=N/C.
What is the InChIKey of (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine?
The InChIKey is RQPOKOCEESGAGJ-SHBJENAYSA-N. The full InChI is InChI=1S/C12H18FN/c1-5-12(14-4)9-10(2)7-6-8-11(3)13/h6-8H,3,5,9H2,1-2,4H3/b8-6-,10-7+,14-12+.
What are the key properties of (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine?
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine has a molecular weight of 195.28 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine is sourced from PubChem (CID 153384496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).