2-ethenyl-2,3,3-trifluorooxirane

C4H3F3O — CID 55250306

IUPAC2-ethenyl-2,3,3-trifluorooxirane
SMILESC=CC1(F)OC1(F)F
InChIInChI=1S/C4H3F3O/c1-2-3(5)4(6,7)8-3/h2H,1H2
InChIKeyLBNXYWJKDVVDBV-UHFFFAOYSA-N
MW124.06 g/mol
LogP1.46
Rot. Bonds1

About 2-ethenyl-2,3,3-trifluorooxirane

2-ethenyl-2,3,3-trifluorooxirane (PubChem CID 55250306) has the molecular formula C4H3F3O and a molecular weight of 124.06 g/mol. Its IUPAC name is 2-ethenyl-2,3,3-trifluorooxirane.

Molecular Properties

Compound Name2-ethenyl-2,3,3-trifluorooxirane
PubChem CID55250306
Molecular FormulaC4H3F3O
Molecular Weight124.06 g/mol
Exact Mass124.01
IUPAC Name2-ethenyl-2,3,3-trifluorooxirane
SMILESC=CC1(F)OC1(F)F
InChIInChI=1S/C4H3F3O/c1-2-3(5)4(6,7)8-3/h2H,1H2
InChIKeyLBNXYWJKDVVDBV-UHFFFAOYSA-N
XLogP1.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.06
LogP ≤ 51.46
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-2,3,3-trifluorooxirane?
The IUPAC name of 2-ethenyl-2,3,3-trifluorooxirane (CID 55250306) is 2-ethenyl-2,3,3-trifluorooxirane.
What is the SMILES notation for 2-ethenyl-2,3,3-trifluorooxirane?
The canonical SMILES for 2-ethenyl-2,3,3-trifluorooxirane is C=CC1(F)OC1(F)F.
What is the InChIKey of 2-ethenyl-2,3,3-trifluorooxirane?
The InChIKey is LBNXYWJKDVVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O/c1-2-3(5)4(6,7)8-3/h2H,1H2.
What are the key properties of 2-ethenyl-2,3,3-trifluorooxirane?
2-ethenyl-2,3,3-trifluorooxirane has a molecular weight of 124.06 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,3,3-trifluorooxirane is sourced from PubChem (CID 55250306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).