N-[(E)-2-fluoroprop-1-enyl]methanimine

C4H6FN — CID 143262121

IUPACN-[(E)-2-fluoroprop-1-enyl]methanimine
SMILESC=N/C=C(\C)F
InChIInChI=1S/C4H6FN/c1-4(5)3-6-2/h3H,2H2,1H3/b4-3+
InChIKeyTXPMJQGUNZKQPX-ONEGZZNKSA-N
MW87.10 g/mol
LogP1.52
Rot. Bonds1

About N-[(E)-2-fluoroprop-1-enyl]methanimine

N-[(E)-2-fluoroprop-1-enyl]methanimine (PubChem CID 143262121) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is N-[(E)-2-fluoroprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-fluoroprop-1-enyl]methanimine
PubChem CID143262121
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC NameN-[(E)-2-fluoroprop-1-enyl]methanimine
SMILESC=N/C=C(\C)F
InChIInChI=1S/C4H6FN/c1-4(5)3-6-2/h3H,2H2,1H3/b4-3+
InChIKeyTXPMJQGUNZKQPX-ONEGZZNKSA-N
XLogP1.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-2-fluoroprop-1-enyl]methanimine 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 N-[(E)-2-fluoroprop-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-fluoroprop-1-enyl]methanimine (CID 143262121) is N-[(E)-2-fluoroprop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-fluoroprop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-fluoroprop-1-enyl]methanimine is C=N/C=C(\C)F.
What is the InChIKey of N-[(E)-2-fluoroprop-1-enyl]methanimine?
The InChIKey is TXPMJQGUNZKQPX-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H6FN/c1-4(5)3-6-2/h3H,2H2,1H3/b4-3+.
What are the key properties of N-[(E)-2-fluoroprop-1-enyl]methanimine?
N-[(E)-2-fluoroprop-1-enyl]methanimine has a molecular weight of 87.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoroprop-1-enyl]methanimine is sourced from PubChem (CID 143262121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).