6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine

C11H15ClFN — CID 123435714

IUPAC6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine
SMILESC=C(C)C(=C)/C(C=C(Cl)C(C)F)=N/C
InChIInChI=1S/C11H15ClFN/c1-7(2)8(3)11(14-5)6-10(12)9(4)13/h6,9H,1,3H2,2,4-5H3/b10-6?,14-11+
InChIKeyJGGSYJQHONOJFG-NBVHASRLSA-N
MW215.70 g/mol
LogP3.67
Rot. Bonds4

About 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine

6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine (PubChem CID 123435714) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine.

Molecular Properties

Compound Name6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine
PubChem CID123435714
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine
SMILESC=C(C)C(=C)/C(C=C(Cl)C(C)F)=N/C
InChIInChI=1S/C11H15ClFN/c1-7(2)8(3)11(14-5)6-10(12)9(4)13/h6,9H,1,3H2,2,4-5H3/b10-6?,14-11+
InChIKeyJGGSYJQHONOJFG-NBVHASRLSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.67
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'}

Analyze 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-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 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine?
The IUPAC name of 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine (CID 123435714) is 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine.
What is the SMILES notation for 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine?
The canonical SMILES for 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine is C=C(C)C(=C)/C(C=C(Cl)C(C)F)=N/C.
What is the InChIKey of 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine?
The InChIKey is JGGSYJQHONOJFG-NBVHASRLSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7(2)8(3)11(14-5)6-10(12)9(4)13/h6,9H,1,3H2,2,4-5H3/b10-6?,14-11+.
What are the key properties of 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine?
6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine has a molecular weight of 215.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine is sourced from PubChem (CID 123435714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).