3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide

C5F10O5S2 — CID 54080609

IUPAC3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
SMILESO=S1(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F10O5S2/c6-1(7)2(8,9)4(12,13)21(16,17)20-22(18,19)5(14,15)3(1,10)11
InChIKeyMMVJIQVSASMVGY-UHFFFAOYSA-N
MW394.16 g/mol
LogP1.77
Rot. Bonds

About 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide

3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide (PubChem CID 54080609) has the molecular formula C5F10O5S2 and a molecular weight of 394.16 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
PubChem CID54080609
Molecular FormulaC5F10O5S2
Molecular Weight394.16 g/mol
Exact Mass393.90
IUPAC Name3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
SMILESO=S1(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F10O5S2/c6-1(7)2(8,9)4(12,13)21(16,17)20-22(18,19)5(14,15)3(1,10)11
InChIKeyMMVJIQVSASMVGY-UHFFFAOYSA-N
XLogP1.77
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.16
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide (CID 54080609) is 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide is O=S1(=O)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide?
The InChIKey is MMVJIQVSASMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O5S2/c6-1(7)2(8,9)4(12,13)21(16,17)20-22(18,19)5(14,15)3(1,10)11.
What are the key properties of 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide?
3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide has a molecular weight of 394.16 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide is sourced from PubChem (CID 54080609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).