4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide

C4H3F6NO2S2 — CID 88919222

IUPAC4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide
SMILESCN1SC(F)(F)C(F)(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C4H3F6NO2S2/c1-11-14-3(7,8)2(5,6)4(9,10)15(11,12)13/h1H3
InChIKeyCXJCHGJZWSNJSR-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.73
Rot. Bonds

About 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide

4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide (PubChem CID 88919222) has the molecular formula C4H3F6NO2S2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide
PubChem CID88919222
Molecular FormulaC4H3F6NO2S2
Molecular Weight275.19 g/mol
Exact Mass274.95
IUPAC Name4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide
SMILESCN1SC(F)(F)C(F)(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C4H3F6NO2S2/c1-11-14-3(7,8)2(5,6)4(9,10)15(11,12)13/h1H3
InChIKeyCXJCHGJZWSNJSR-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 57583623
4,4,5,5,6-Pentafluoro-6-methyl-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58341495
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58997829
1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-N-methylpropane-1-sulfonamide
CID 89125362
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3-trioxide
CID 89194426
4,4,5,5,6-Pentafluoro-2,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 124029001
4,4,6,6-Tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 130280146
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide
CID 139319684
6-(Difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 154519884
Methyl((nonafluorobutyl)sulfonyl)azanide
CID 101381456
4,4,5,5,6,6-Hexafluoro-2-methyl-3-methylidene-1,3,2-dithiazinane 1,1,3-trioxide
CID 149383034
4,4,5,6,6-Pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 162546900

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide (CID 88919222) is 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide is CN1SC(F)(F)C(F)(F)C(F)(F)S1(=O)=O.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide?
The InChIKey is CXJCHGJZWSNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6NO2S2/c1-11-14-3(7,8)2(5,6)4(9,10)15(11,12)13/h1H3.
What are the key properties of 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide?
4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide has a molecular weight of 275.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide is sourced from PubChem (CID 88919222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).