2,2,3,3,5,5,6,6-octafluorooxane

C5H2F8O — CID 18737302

IUPAC2,2,3,3,5,5,6,6-octafluorooxane
SMILESFC1(F)CC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)1-3(8,9)5(12,13)14-4(2,10)11/h1H2
InChIKeyQWPIFHPCVAYQIG-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.86
Rot. Bonds

About 2,2,3,3,5,5,6,6-octafluorooxane

2,2,3,3,5,5,6,6-octafluorooxane (PubChem CID 18737302) has the molecular formula C5H2F8O and a molecular weight of 230.05 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluorooxane.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluorooxane
PubChem CID18737302
Molecular FormulaC5H2F8O
Molecular Weight230.05 g/mol
Exact Mass230.00
IUPAC Name2,2,3,3,5,5,6,6-octafluorooxane
SMILESFC1(F)CC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C5H2F8O/c6-2(7)1-3(8,9)5(12,13)14-4(2,10)11/h1H2
InChIKeyQWPIFHPCVAYQIG-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluorooxane?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluorooxane (CID 18737302) is 2,2,3,3,5,5,6,6-octafluorooxane.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluorooxane?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluorooxane is FC1(F)CC(F)(F)C(F)(F)OC1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluorooxane?
The InChIKey is QWPIFHPCVAYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8O/c6-2(7)1-3(8,9)5(12,13)14-4(2,10)11/h1H2.
What are the key properties of 2,2,3,3,5,5,6,6-octafluorooxane?
2,2,3,3,5,5,6,6-octafluorooxane has a molecular weight of 230.05 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluorooxane is sourced from PubChem (CID 18737302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).