6-fluoro-N,4-dimethylcyclohex-2-en-1-imine

C8H12FN — CID 123297893

IUPAC6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1\C=CC(C)CC1F
InChIInChI=1S/C8H12FN/c1-6-3-4-8(10-2)7(9)5-6/h3-4,6-7H,5H2,1-2H3/b10-8+
InChIKeyQQWGRMCDYJTFNL-CSKARUKUSA-N
MW141.19 g/mol
LogP1.99
Rot. Bonds

About 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine

6-fluoro-N,4-dimethylcyclohex-2-en-1-imine (PubChem CID 123297893) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
PubChem CID123297893
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
SMILESC/N=C1\C=CC(C)CC1F
InChIInChI=1S/C8H12FN/c1-6-3-4-8(10-2)7(9)5-6/h3-4,6-7H,5H2,1-2H3/b10-8+
InChIKeyQQWGRMCDYJTFNL-CSKARUKUSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine?
The IUPAC name of 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine (CID 123297893) is 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine is C/N=C1\C=CC(C)CC1F.
What is the InChIKey of 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine?
The InChIKey is QQWGRMCDYJTFNL-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-4-8(10-2)7(9)5-6/h3-4,6-7H,5H2,1-2H3/b10-8+.
What are the key properties of 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine?
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,4-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123297893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).