4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C3H3F4NO4S2 — CID 58481021

IUPAC4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESO=S1(=O)NS(=O)(=O)C(F)(F)CC1(F)F
InChIInChI=1S/C3H3F4NO4S2/c4-2(5)1-3(6,7)14(11,12)8-13(2,9)10/h8H,1H2
InChIKeyXEGXEWYUVKUBRH-UHFFFAOYSA-N
MW257.19 g/mol
LogP-0.18
Rot. Bonds

About 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide

4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 58481021) has the molecular formula C3H3F4NO4S2 and a molecular weight of 257.19 g/mol. Its IUPAC name is 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID58481021
Molecular FormulaC3H3F4NO4S2
Molecular Weight257.19 g/mol
Exact Mass256.94
IUPAC Name4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESO=S1(=O)NS(=O)(=O)C(F)(F)CC1(F)F
InChIInChI=1S/C3H3F4NO4S2/c4-2(5)1-3(6,7)14(11,12)8-13(2,9)10/h8H,1H2
InChIKeyXEGXEWYUVKUBRH-UHFFFAOYSA-N
XLogP-0.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2,4,4,5,5,6,6-Heptafluoro-[1,3,2]dithiazinane 1,1,3,3-tetraoxide
CID 13926695
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-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 23593419
4,4,5,5-Tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 23593420
1,1,2,2,3-pentafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57641964
4,4,5,5-Tetrafluoro-6-(trifluoromethyl)-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 57669246
4,4,5,5-Tetrafluoro-6-(trifluoromethyl)-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 57669247
4,4,5,5,6-Pentafluoro-6-(trifluoromethyl)-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58059858
4,4,5,5,6-Pentafluoro-6-(trifluoromethyl)-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58059859

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 58481021) is 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is O=S1(=O)NS(=O)(=O)C(F)(F)CC1(F)F.
What is the InChIKey of 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is XEGXEWYUVKUBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F4NO4S2/c4-2(5)1-3(6,7)14(11,12)8-13(2,9)10/h8H,1H2.
What are the key properties of 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 257.19 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 58481021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).