3,3,4,4,5,5,6,6-octafluorooxan-2-one

C5F8O2 — CID 21322078

IUPAC3,3,4,4,5,5,6,6-octafluorooxan-2-one
SMILESO=C1OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F8O2/c6-2(7)1(14)15-5(12,13)4(10,11)3(2,8)9
InChIKeyGUMLCGPYSJPCNN-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.04
Rot. Bonds

About 3,3,4,4,5,5,6,6-octafluorooxan-2-one

3,3,4,4,5,5,6,6-octafluorooxan-2-one (PubChem CID 21322078) has the molecular formula C5F8O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluorooxan-2-one.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluorooxan-2-one
PubChem CID21322078
Molecular FormulaC5F8O2
Molecular Weight244.04 g/mol
Exact Mass243.98
IUPAC Name3,3,4,4,5,5,6,6-octafluorooxan-2-one
SMILESO=C1OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F8O2/c6-2(7)1(14)15-5(12,13)4(10,11)3(2,8)9
InChIKeyGUMLCGPYSJPCNN-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3,4,4,5,5,6,6-octafluorooxan-2-one?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluorooxan-2-one (CID 21322078) is 3,3,4,4,5,5,6,6-octafluorooxan-2-one.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluorooxan-2-one?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluorooxan-2-one is O=C1OC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluorooxan-2-one?
The InChIKey is GUMLCGPYSJPCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O2/c6-2(7)1(14)15-5(12,13)4(10,11)3(2,8)9.
What are the key properties of 3,3,4,4,5,5,6,6-octafluorooxan-2-one?
3,3,4,4,5,5,6,6-octafluorooxan-2-one has a molecular weight of 244.04 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluorooxan-2-one is sourced from PubChem (CID 21322078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).