4-fluorobut-3-en-2-imine

C4H6FN — CID 123427485

IUPAC4-fluorobut-3-en-2-imine
SMILES[H]/N=C(\C)C=CF
InChIInChI=1S/C4H6FN/c1-4(6)2-3-5/h2-3,6H,1H3/b3-2?,6-4+
InChIKeyNCFACVWIBSMROI-KMSZJSRBSA-N
MW87.10 g/mol
LogP1.51
Rot. Bonds1

About 4-fluorobut-3-en-2-imine

4-fluorobut-3-en-2-imine (PubChem CID 123427485) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 4-fluorobut-3-en-2-imine.

Molecular Properties

Compound Name4-fluorobut-3-en-2-imine
PubChem CID123427485
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name4-fluorobut-3-en-2-imine
SMILES[H]/N=C(\C)C=CF
InChIInChI=1S/C4H6FN/c1-4(6)2-3-5/h2-3,6H,1H3/b3-2?,6-4+
InChIKeyNCFACVWIBSMROI-KMSZJSRBSA-N
XLogP1.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluorobut-3-en-2-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-fluorobut-3-en-2-imine?
The IUPAC name of 4-fluorobut-3-en-2-imine (CID 123427485) is 4-fluorobut-3-en-2-imine.
What is the SMILES notation for 4-fluorobut-3-en-2-imine?
The canonical SMILES for 4-fluorobut-3-en-2-imine is [H]/N=C(\C)C=CF.
What is the InChIKey of 4-fluorobut-3-en-2-imine?
The InChIKey is NCFACVWIBSMROI-KMSZJSRBSA-N. The full InChI is InChI=1S/C4H6FN/c1-4(6)2-3-5/h2-3,6H,1H3/b3-2?,6-4+.
What are the key properties of 4-fluorobut-3-en-2-imine?
4-fluorobut-3-en-2-imine has a molecular weight of 87.10 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-3-en-2-imine is sourced from PubChem (CID 123427485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).