5-fluoro-N,2-dimethylcyclohex-2-en-1-imine

C8H12FN — CID 123676418

IUPAC5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1\CC(F)CC=C1C
InChIInChI=1S/C8H12FN/c1-6-3-4-7(9)5-8(6)10-2/h3,7H,4-5H2,1-2H3/b10-8+
InChIKeyIEMCEQUZXNEMKT-CSKARUKUSA-N
MW141.19 g/mol
LogP2.14
Rot. Bonds

About 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine

5-fluoro-N,2-dimethylcyclohex-2-en-1-imine (PubChem CID 123676418) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
PubChem CID123676418
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1\CC(F)CC=C1C
InChIInChI=1S/C8H12FN/c1-6-3-4-7(9)5-8(6)10-2/h3,7H,4-5H2,1-2H3/b10-8+
InChIKeyIEMCEQUZXNEMKT-CSKARUKUSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-N,2-dimethylcyclohex-2-en-1-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 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine?
The IUPAC name of 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine (CID 123676418) is 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine is C/N=C1\CC(F)CC=C1C.
What is the InChIKey of 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine?
The InChIKey is IEMCEQUZXNEMKT-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-4-7(9)5-8(6)10-2/h3,7H,4-5H2,1-2H3/b10-8+.
What are the key properties of 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine?
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123676418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).