4-fluorocyclohex-2-en-1-imine

C6H8FN — CID 90739685

IUPAC4-fluorocyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(F)CC1
InChIInChI=1S/C6H8FN/c7-5-1-3-6(8)4-2-5/h1,3,5,8H,2,4H2/b8-6-
InChIKeyUKCHESCVPYNZNU-VURMDHGXSA-N
MW113.13 g/mol
LogP1.69
Rot. Bonds

About 4-fluorocyclohex-2-en-1-imine

4-fluorocyclohex-2-en-1-imine (PubChem CID 90739685) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 4-fluorocyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-fluorocyclohex-2-en-1-imine
PubChem CID90739685
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name4-fluorocyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(F)CC1
InChIInChI=1S/C6H8FN/c7-5-1-3-6(8)4-2-5/h1,3,5,8H,2,4H2/b8-6-
InChIKeyUKCHESCVPYNZNU-VURMDHGXSA-N
XLogP1.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluorocyclohex-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 4-fluorocyclohex-2-en-1-imine?
The IUPAC name of 4-fluorocyclohex-2-en-1-imine (CID 90739685) is 4-fluorocyclohex-2-en-1-imine.
What is the SMILES notation for 4-fluorocyclohex-2-en-1-imine?
The canonical SMILES for 4-fluorocyclohex-2-en-1-imine is [H]/N=C1/C=CC(F)CC1.
What is the InChIKey of 4-fluorocyclohex-2-en-1-imine?
The InChIKey is UKCHESCVPYNZNU-VURMDHGXSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-1-3-6(8)4-2-5/h1,3,5,8H,2,4H2/b8-6-.
What are the key properties of 4-fluorocyclohex-2-en-1-imine?
4-fluorocyclohex-2-en-1-imine has a molecular weight of 113.13 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohex-2-en-1-imine is sourced from PubChem (CID 90739685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).