N-(1-fluoroethenyl)ethanimine

C4H6FN — CID 123218479

IUPACN-(1-fluoroethenyl)ethanimine
SMILESC=C(F)N=CC
InChIInChI=1S/C4H6FN/c1-3-6-4(2)5/h3H,2H2,1H3
InChIKeyPQYLLBLDARPVDC-UHFFFAOYSA-N
MW87.10 g/mol
LogP1.52
Rot. Bonds1

About N-(1-fluoroethenyl)ethanimine

N-(1-fluoroethenyl)ethanimine (PubChem CID 123218479) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is N-(1-fluoroethenyl)ethanimine.

Molecular Properties

Compound NameN-(1-fluoroethenyl)ethanimine
PubChem CID123218479
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC NameN-(1-fluoroethenyl)ethanimine
SMILESC=C(F)N=CC
InChIInChI=1S/C4H6FN/c1-3-6-4(2)5/h3H,2H2,1H3
InChIKeyPQYLLBLDARPVDC-UHFFFAOYSA-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethenyl)ethanimine?
The IUPAC name of N-(1-fluoroethenyl)ethanimine (CID 123218479) is N-(1-fluoroethenyl)ethanimine.
What is the SMILES notation for N-(1-fluoroethenyl)ethanimine?
The canonical SMILES for N-(1-fluoroethenyl)ethanimine is C=C(F)N=CC.
What is the InChIKey of N-(1-fluoroethenyl)ethanimine?
The InChIKey is PQYLLBLDARPVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c1-3-6-4(2)5/h3H,2H2,1H3.
What are the key properties of N-(1-fluoroethenyl)ethanimine?
N-(1-fluoroethenyl)ethanimine 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-(1-fluoroethenyl)ethanimine is sourced from PubChem (CID 123218479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).