2-ethenyl-3-fluorooxirane

C4H5FO — CID 139665602

IUPAC2-ethenyl-3-fluorooxirane
SMILESC=CC1OC1F
InChIInChI=1S/C4H5FO/c1-2-3-4(5)6-3/h2-4H,1H2
InChIKeyTWHUDPDLVWHVNV-UHFFFAOYSA-N
MW88.08 g/mol
LogP0.87
Rot. Bonds1

About 2-ethenyl-3-fluorooxirane

2-ethenyl-3-fluorooxirane (PubChem CID 139665602) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is 2-ethenyl-3-fluorooxirane.

Molecular Properties

Compound Name2-ethenyl-3-fluorooxirane
PubChem CID139665602
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name2-ethenyl-3-fluorooxirane
SMILESC=CC1OC1F
InChIInChI=1S/C4H5FO/c1-2-3-4(5)6-3/h2-4H,1H2
InChIKeyTWHUDPDLVWHVNV-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-fluorooxirane?
The IUPAC name of 2-ethenyl-3-fluorooxirane (CID 139665602) is 2-ethenyl-3-fluorooxirane.
What is the SMILES notation for 2-ethenyl-3-fluorooxirane?
The canonical SMILES for 2-ethenyl-3-fluorooxirane is C=CC1OC1F.
What is the InChIKey of 2-ethenyl-3-fluorooxirane?
The InChIKey is TWHUDPDLVWHVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-2-3-4(5)6-3/h2-4H,1H2.
What are the key properties of 2-ethenyl-3-fluorooxirane?
2-ethenyl-3-fluorooxirane 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-ethenyl-3-fluorooxirane is sourced from PubChem (CID 139665602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).