2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane

C5H4F6O2 — CID 14140927

IUPAC2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)COC1(C(F)(F)F)CO1
InChIInChI=1S/C5H4F6O2/c6-4(7,8)2-13-3(1-12-3)5(9,10)11/h1-2H2
InChIKeyNSDLPXQTVGTHHF-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.85
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane

2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane (PubChem CID 14140927) has the molecular formula C5H4F6O2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane
PubChem CID14140927
Molecular FormulaC5H4F6O2
Molecular Weight210.07 g/mol
Exact Mass210.01
IUPAC Name2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)COC1(C(F)(F)F)CO1
InChIInChI=1S/C5H4F6O2/c6-4(7,8)2-13-3(1-12-3)5(9,10)11/h1-2H2
InChIKeyNSDLPXQTVGTHHF-UHFFFAOYSA-N
XLogP1.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.85
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-trifluoroethoxy)-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane (CID 14140927) is 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane is FC(F)(F)COC1(C(F)(F)F)CO1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane?
The InChIKey is NSDLPXQTVGTHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2/c6-4(7,8)2-13-3(1-12-3)5(9,10)11/h1-2H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane?
2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane has a molecular weight of 210.07 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 14140927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).