4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide

C3H2F6NO4S2+ — CID 58937627

IUPAC4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide
SMILESO=S1(=O)[NH2+]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C3HF6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h10H/p+1
InChIKeyWOAGDWWRYOZHDS-UHFFFAOYSA-O
MW294.17 g/mol
LogP-0.96
Rot. Bonds

About 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide

4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide (PubChem CID 58937627) has the molecular formula C3H2F6NO4S2+ and a molecular weight of 294.17 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide
PubChem CID58937627
Molecular FormulaC3H2F6NO4S2+
Molecular Weight294.17 g/mol
Exact Mass293.93
IUPAC Name4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide
SMILESO=S1(=O)[NH2+]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C3HF6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h10H/p+1
InChIKeyWOAGDWWRYOZHDS-UHFFFAOYSA-O
XLogP-0.96
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 11208600
Lithium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 44630347
Potassium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 44630348
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
2,4,4,5,5,6,6-Heptafluoro-[1,3,2]dithiazinane 1,1,3,3-tetraoxide
CID 13926695
1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide
CID 12992972
1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)butane-1-sulfonamide
CID 15549560
4,4,5,5,6,6-Hexafluoro-1,3,2-dithiazinane 1,3-dioxide
CID 18402272
4,4,5,5,6,6-Hexafluoro-1,1,3,3-tetraoxo-1lambda6,3lambda6,2-dithiazinan-2-ide
CID 18684094
4,4,5,5-Tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 23593420

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide (CID 58937627) is 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide is O=S1(=O)[NH2+]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide?
The InChIKey is WOAGDWWRYOZHDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C3HF6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h10H/p+1.
What are the key properties of 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide?
4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide has a molecular weight of 294.17 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide is sourced from PubChem (CID 58937627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).