2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane

C5H6F4O2 — CID 2776649

IUPAC2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane
SMILESFC(F)C(F)(F)OCC1CO1
InChIInChI=1S/C5H6F4O2/c6-4(7)5(8,9)11-2-3-1-10-3/h3-4H,1-2H2
InChIKeyHFNPKDDYCOMYLN-UHFFFAOYSA-N
MW174.09 g/mol
LogP1.26
Rot. Bonds4

About 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane

2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane (PubChem CID 2776649) has the molecular formula C5H6F4O2 and a molecular weight of 174.09 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane
PubChem CID2776649
Molecular FormulaC5H6F4O2
Molecular Weight174.09 g/mol
Exact Mass174.03
IUPAC Name2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane
SMILESFC(F)C(F)(F)OCC1CO1
InChIInChI=1S/C5H6F4O2/c6-4(7)5(8,9)11-2-3-1-10-3/h3-4H,1-2H2
InChIKeyHFNPKDDYCOMYLN-UHFFFAOYSA-N
XLogP1.26
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', '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-(1,1,2,2-tetrafluoroethoxymethyl)oxirane?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane (CID 2776649) is 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane is FC(F)C(F)(F)OCC1CO1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane?
The InChIKey is HFNPKDDYCOMYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2/c6-4(7)5(8,9)11-2-3-1-10-3/h3-4H,1-2H2.
What are the key properties of 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane?
2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane has a molecular weight of 174.09 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethoxymethyl)oxirane is sourced from PubChem (CID 2776649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).