2-fluorocyclohex-3-en-1-imine

C6H8FN — CID 123967075

IUPAC2-fluorocyclohex-3-en-1-imine
SMILES[H]/N=C1\CCC=CC1F
InChIInChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1,3,5,8H,2,4H2/b8-6+
InChIKeyQALFHSFZASWOQL-SOFGYWHQSA-N
MW113.13 g/mol
LogP1.69
Rot. Bonds

About 2-fluorocyclohex-3-en-1-imine

2-fluorocyclohex-3-en-1-imine (PubChem CID 123967075) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-fluorocyclohex-3-en-1-imine.

Molecular Properties

Compound Name2-fluorocyclohex-3-en-1-imine
PubChem CID123967075
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name2-fluorocyclohex-3-en-1-imine
SMILES[H]/N=C1\CCC=CC1F
InChIInChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1,3,5,8H,2,4H2/b8-6+
InChIKeyQALFHSFZASWOQL-SOFGYWHQSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclohex-3-en-1-imine?
The IUPAC name of 2-fluorocyclohex-3-en-1-imine (CID 123967075) is 2-fluorocyclohex-3-en-1-imine.
What is the SMILES notation for 2-fluorocyclohex-3-en-1-imine?
The canonical SMILES for 2-fluorocyclohex-3-en-1-imine is [H]/N=C1\CCC=CC1F.
What is the InChIKey of 2-fluorocyclohex-3-en-1-imine?
The InChIKey is QALFHSFZASWOQL-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1,3,5,8H,2,4H2/b8-6+.
What are the key properties of 2-fluorocyclohex-3-en-1-imine?
2-fluorocyclohex-3-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 2-fluorocyclohex-3-en-1-imine is sourced from PubChem (CID 123967075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).