(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine

C10H16FN — CID 155204692

IUPAC(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
SMILESC=C/N=C(/C=C(\C)CF)C(C)C
InChIInChI=1S/C10H16FN/c1-5-12-10(8(2)3)6-9(4)7-11/h5-6,8H,1,7H2,2-4H3/b9-6+,12-10-
InChIKeyUTAPPSDOLBXZIO-QJUYYABZSA-N
MW169.24 g/mol
LogP3.14
Rot. Bonds4

About (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine

(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine (PubChem CID 155204692) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
PubChem CID155204692
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
SMILESC=C/N=C(/C=C(\C)CF)C(C)C
InChIInChI=1S/C10H16FN/c1-5-12-10(8(2)3)6-9(4)7-11/h5-6,8H,1,7H2,2-4H3/b9-6+,12-10-
InChIKeyUTAPPSDOLBXZIO-QJUYYABZSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine 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 (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine?
The IUPAC name of (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine (CID 155204692) is (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine.
What is the SMILES notation for (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine?
The canonical SMILES for (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine is C=C/N=C(/C=C(\C)CF)C(C)C.
What is the InChIKey of (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine?
The InChIKey is UTAPPSDOLBXZIO-QJUYYABZSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-12-10(8(2)3)6-9(4)7-11/h5-6,8H,1,7H2,2-4H3/b9-6+,12-10-.
What are the key properties of (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine?
(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine has a molecular weight of 169.24 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine is sourced from PubChem (CID 155204692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).