2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane

C5H2F6O — CID 135324593

IUPAC2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane
SMILESFC1(F)C2OC2C(F)(F)C1(F)F
InChIInChI=1S/C5H2F6O/c6-3(7)1-2(12-1)4(8,9)5(3,10)11/h1-2H
InChIKeyPVDJTNGQMKCHPQ-UHFFFAOYSA-N
MW192.06 g/mol
LogP1.67
Rot. Bonds

About 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane

2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane (PubChem CID 135324593) has the molecular formula C5H2F6O and a molecular weight of 192.06 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane
PubChem CID135324593
Molecular FormulaC5H2F6O
Molecular Weight192.06 g/mol
Exact Mass192.00
IUPAC Name2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane
SMILESFC1(F)C2OC2C(F)(F)C1(F)F
InChIInChI=1S/C5H2F6O/c6-3(7)1-2(12-1)4(8,9)5(3,10)11/h1-2H
InChIKeyPVDJTNGQMKCHPQ-UHFFFAOYSA-N
XLogP1.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane (CID 135324593) is 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane is FC1(F)C2OC2C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane?
The InChIKey is PVDJTNGQMKCHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O/c6-3(7)1-2(12-1)4(8,9)5(3,10)11/h1-2H.
What are the key properties of 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane?
2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane has a molecular weight of 192.06 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 135324593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).