2-(1-fluoroethenyl)oxirane

C4H5FO — CID 174972687

IUPAC2-(1-fluoroethenyl)oxirane
SMILESC=C(F)C1CO1
InChIInChI=1S/C4H5FO/c1-3(5)4-2-6-4/h4H,1-2H2
InChIKeyNEPNZAHXLBBEHO-UHFFFAOYSA-N
MW88.08 g/mol
LogP0.87
Rot. Bonds1

About 2-(1-fluoroethenyl)oxirane

2-(1-fluoroethenyl)oxirane (PubChem CID 174972687) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is 2-(1-fluoroethenyl)oxirane.

Molecular Properties

Compound Name2-(1-fluoroethenyl)oxirane
PubChem CID174972687
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name2-(1-fluoroethenyl)oxirane
SMILESC=C(F)C1CO1
InChIInChI=1S/C4H5FO/c1-3(5)4-2-6-4/h4H,1-2H2
InChIKeyNEPNZAHXLBBEHO-UHFFFAOYSA-N
XLogP0.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethenyl)oxirane?
The IUPAC name of 2-(1-fluoroethenyl)oxirane (CID 174972687) is 2-(1-fluoroethenyl)oxirane.
What is the SMILES notation for 2-(1-fluoroethenyl)oxirane?
The canonical SMILES for 2-(1-fluoroethenyl)oxirane is C=C(F)C1CO1.
What is the InChIKey of 2-(1-fluoroethenyl)oxirane?
The InChIKey is NEPNZAHXLBBEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-3(5)4-2-6-4/h4H,1-2H2.
What are the key properties of 2-(1-fluoroethenyl)oxirane?
2-(1-fluoroethenyl)oxirane has a molecular weight of 88.08 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethenyl)oxirane is sourced from PubChem (CID 174972687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).