2-(2,2,2-trifluoroethoxymethyl)oxirane

C5H7F3O2 — CID 2763168

IUPAC2-(2,2,2-trifluoroethoxymethyl)oxirane
SMILESFC(F)(F)COCC1CO1
InChIInChI=1S/C5H7F3O2/c6-5(7,8)3-9-1-4-2-10-4/h4H,1-3H2
InChIKeyBOORGFXBMIIZHP-UHFFFAOYSA-N
MW156.10 g/mol
LogP0.96
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxymethyl)oxirane

2-(2,2,2-trifluoroethoxymethyl)oxirane (PubChem CID 2763168) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)oxirane
PubChem CID2763168
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)oxirane
SMILESFC(F)(F)COCC1CO1
InChIInChI=1S/C5H7F3O2/c6-5(7,8)3-9-1-4-2-10-4/h4H,1-3H2
InChIKeyBOORGFXBMIIZHP-UHFFFAOYSA-N
XLogP0.96
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-trifluoroethoxymethyl)oxirane?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)oxirane (CID 2763168) is 2-(2,2,2-trifluoroethoxymethyl)oxirane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)oxirane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)oxirane is FC(F)(F)COCC1CO1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)oxirane?
The InChIKey is BOORGFXBMIIZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c6-5(7,8)3-9-1-4-2-10-4/h4H,1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)oxirane?
2-(2,2,2-trifluoroethoxymethyl)oxirane has a molecular weight of 156.10 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)oxirane is sourced from PubChem (CID 2763168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).