2-(trifluoromethoxymethyl)oxirane

C4H5F3O2 — CID 23089500

IUPAC2-(trifluoromethoxymethyl)oxirane
SMILESFC(F)(F)OCC1CO1
InChIInChI=1S/C4H5F3O2/c5-4(6,7)9-2-3-1-8-3/h3H,1-2H2
InChIKeyMHYPFIZENNWIGL-UHFFFAOYSA-N
MW142.08 g/mol
LogP0.92
Rot. Bonds2

About 2-(trifluoromethoxymethyl)oxirane

2-(trifluoromethoxymethyl)oxirane (PubChem CID 23089500) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is 2-(trifluoromethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(trifluoromethoxymethyl)oxirane
PubChem CID23089500
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name2-(trifluoromethoxymethyl)oxirane
SMILESFC(F)(F)OCC1CO1
InChIInChI=1S/C4H5F3O2/c5-4(6,7)9-2-3-1-8-3/h3H,1-2H2
InChIKeyMHYPFIZENNWIGL-UHFFFAOYSA-N
XLogP0.92
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 50.92
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-(trifluoromethoxymethyl)oxirane?
The IUPAC name of 2-(trifluoromethoxymethyl)oxirane (CID 23089500) is 2-(trifluoromethoxymethyl)oxirane.
What is the SMILES notation for 2-(trifluoromethoxymethyl)oxirane?
The canonical SMILES for 2-(trifluoromethoxymethyl)oxirane is FC(F)(F)OCC1CO1.
What is the InChIKey of 2-(trifluoromethoxymethyl)oxirane?
The InChIKey is MHYPFIZENNWIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2/c5-4(6,7)9-2-3-1-8-3/h3H,1-2H2.
What are the key properties of 2-(trifluoromethoxymethyl)oxirane?
2-(trifluoromethoxymethyl)oxirane has a molecular weight of 142.08 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxymethyl)oxirane is sourced from PubChem (CID 23089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).