4-fluorohex-4-en-3-imine

C6H10FN — CID 91259833

IUPAC4-fluorohex-4-en-3-imine
SMILES[H]/N=C(\CC)C(F)=CC
InChIInChI=1S/C6H10FN/c1-3-5(7)6(8)4-2/h3,8H,4H2,1-2H3/b5-3?,8-6+
InChIKeyOEJGUSNSKUDOLO-NIXDYCKDSA-N
MW115.15 g/mol
LogP2.29
Rot. Bonds2

About 4-fluorohex-4-en-3-imine

4-fluorohex-4-en-3-imine (PubChem CID 91259833) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 4-fluorohex-4-en-3-imine.

Molecular Properties

Compound Name4-fluorohex-4-en-3-imine
PubChem CID91259833
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name4-fluorohex-4-en-3-imine
SMILES[H]/N=C(\CC)C(F)=CC
InChIInChI=1S/C6H10FN/c1-3-5(7)6(8)4-2/h3,8H,4H2,1-2H3/b5-3?,8-6+
InChIKeyOEJGUSNSKUDOLO-NIXDYCKDSA-N
XLogP2.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluorohex-4-en-3-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-fluorohex-4-en-3-imine?
The IUPAC name of 4-fluorohex-4-en-3-imine (CID 91259833) is 4-fluorohex-4-en-3-imine.
What is the SMILES notation for 4-fluorohex-4-en-3-imine?
The canonical SMILES for 4-fluorohex-4-en-3-imine is [H]/N=C(\CC)C(F)=CC.
What is the InChIKey of 4-fluorohex-4-en-3-imine?
The InChIKey is OEJGUSNSKUDOLO-NIXDYCKDSA-N. The full InChI is InChI=1S/C6H10FN/c1-3-5(7)6(8)4-2/h3,8H,4H2,1-2H3/b5-3?,8-6+.
What are the key properties of 4-fluorohex-4-en-3-imine?
4-fluorohex-4-en-3-imine has a molecular weight of 115.15 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorohex-4-en-3-imine is sourced from PubChem (CID 91259833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).