2-(2,2,2-trifluoroethyl)oxirane

C4H5F3O — CID 2782635

IUPAC2-(2,2,2-trifluoroethyl)oxirane
SMILESFC(F)(F)CC1CO1
InChIInChI=1S/C4H5F3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2
InChIKeyKSAGWVJHDZAMEZ-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.34
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)oxirane

2-(2,2,2-trifluoroethyl)oxirane (PubChem CID 2782635) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)oxirane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)oxirane
PubChem CID2782635
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name2-(2,2,2-trifluoroethyl)oxirane
SMILESFC(F)(F)CC1CO1
InChIInChI=1S/C4H5F3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2
InChIKeyKSAGWVJHDZAMEZ-UHFFFAOYSA-N
XLogP1.34
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.34
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-(2,2,2-trifluoroethyl)oxirane?
The IUPAC name of 2-(2,2,2-trifluoroethyl)oxirane (CID 2782635) is 2-(2,2,2-trifluoroethyl)oxirane.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)oxirane?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)oxirane is FC(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)oxirane?
The InChIKey is KSAGWVJHDZAMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)oxirane?
2-(2,2,2-trifluoroethyl)oxirane has a molecular weight of 126.08 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)oxirane is sourced from PubChem (CID 2782635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).