2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane

C6H6F6O2 — CID 14246829

IUPAC2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane
SMILESFC(C(F)(F)F)C(F)(F)OCC1CO1
InChIInChI=1S/C6H6F6O2/c7-4(5(8,9)10)6(11,12)14-2-3-1-13-3/h3-4H,1-2H2
InChIKeyJMOAWAFFKGTPJU-UHFFFAOYSA-N
MW224.10 g/mol
LogP1.89
Rot. Bonds4

About 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane

2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane (PubChem CID 14246829) has the molecular formula C6H6F6O2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane
PubChem CID14246829
Molecular FormulaC6H6F6O2
Molecular Weight224.10 g/mol
Exact Mass224.03
IUPAC Name2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane
SMILESFC(C(F)(F)F)C(F)(F)OCC1CO1
InChIInChI=1S/C6H6F6O2/c7-4(5(8,9)10)6(11,12)14-2-3-1-13-3/h3-4H,1-2H2
InChIKeyJMOAWAFFKGTPJU-UHFFFAOYSA-N
XLogP1.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 51.89
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-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane?
The IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane (CID 14246829) is 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane.
What is the SMILES notation for 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane?
The canonical SMILES for 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane is FC(C(F)(F)F)C(F)(F)OCC1CO1.
What is the InChIKey of 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane?
The InChIKey is JMOAWAFFKGTPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O2/c7-4(5(8,9)10)6(11,12)14-2-3-1-13-3/h3-4H,1-2H2.
What are the key properties of 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane?
2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane has a molecular weight of 224.10 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3,3-hexafluoropropoxymethyl)oxirane is sourced from PubChem (CID 14246829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).