N-ethenyl-2-fluoroethanamine

C4H8FN — CID 142813408

IUPACN-ethenyl-2-fluoroethanamine
SMILESC=CNCCF
InChIInChI=1S/C4H8FN/c1-2-6-4-3-5/h2,6H,1,3-4H2
InChIKeyLPSAVSRHONCGLC-UHFFFAOYSA-N
MW89.11 g/mol
LogP0.69
Rot. Bonds3

About N-ethenyl-2-fluoroethanamine

N-ethenyl-2-fluoroethanamine (PubChem CID 142813408) has the molecular formula C4H8FN and a molecular weight of 89.11 g/mol. Its IUPAC name is N-ethenyl-2-fluoroethanamine.

Molecular Properties

Compound NameN-ethenyl-2-fluoroethanamine
PubChem CID142813408
Molecular FormulaC4H8FN
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC NameN-ethenyl-2-fluoroethanamine
SMILESC=CNCCF
InChIInChI=1S/C4H8FN/c1-2-6-4-3-5/h2,6H,1,3-4H2
InChIKeyLPSAVSRHONCGLC-UHFFFAOYSA-N
XLogP0.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethenyl-2-fluoroethanamine 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-ethenyl-2-fluoroethanamine?
The IUPAC name of N-ethenyl-2-fluoroethanamine (CID 142813408) is N-ethenyl-2-fluoroethanamine.
What is the SMILES notation for N-ethenyl-2-fluoroethanamine?
The canonical SMILES for N-ethenyl-2-fluoroethanamine is C=CNCCF.
What is the InChIKey of N-ethenyl-2-fluoroethanamine?
The InChIKey is LPSAVSRHONCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN/c1-2-6-4-3-5/h2,6H,1,3-4H2.
What are the key properties of N-ethenyl-2-fluoroethanamine?
N-ethenyl-2-fluoroethanamine has a molecular weight of 89.11 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-fluoroethanamine is sourced from PubChem (CID 142813408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).