2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane

C4F8O2 — CID 22497786

IUPAC2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
SMILESFC1(F)OC(F)(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C4F8O2/c5-1(6)2(7,8)13-4(11,12)14-3(1,9)10
InChIKeyRQGSWPUTHJZOGI-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.40
Rot. Bonds

About 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane

2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane (PubChem CID 22497786) has the molecular formula C4F8O2 and a molecular weight of 232.03 g/mol. Its IUPAC name is 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane.

Molecular Properties

Compound Name2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
PubChem CID22497786
Molecular FormulaC4F8O2
Molecular Weight232.03 g/mol
Exact Mass231.98
IUPAC Name2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane
SMILESFC1(F)OC(F)(F)C(F)(F)C(F)(F)O1
InChIInChI=1S/C4F8O2/c5-1(6)2(7,8)13-4(11,12)14-3(1,9)10
InChIKeyRQGSWPUTHJZOGI-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 86282027
2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-sulfonyl fluoride
CID 11043025
2,2,3,3,4,4,5-heptafluoro-5-iodooxolane
CID 71417311
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
CID 11333283
(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane
CID 173148599
2,2,3-trifluoro-3-methyloxirane
CID 22289961
2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
CID 11403631
(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 14892283
(1S,15S)-1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,16,16,17,17,18,18,19,19-hexacosafluoro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
CID 14921076
2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
CID 89164183

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane?
The IUPAC name of 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane (CID 22497786) is 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane.
What is the SMILES notation for 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane?
The canonical SMILES for 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane is FC1(F)OC(F)(F)C(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane?
The InChIKey is RQGSWPUTHJZOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O2/c5-1(6)2(7,8)13-4(11,12)14-3(1,9)10.
What are the key properties of 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane?
2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane has a molecular weight of 232.03 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,6,6-octafluoro-1,3-dioxane is sourced from PubChem (CID 22497786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).