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

C4H3F6NO2S2 — CID 139319684

IUPAC4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide
SMILESCN1S(=O)C(F)(F)C(F)(F)C(F)(F)S1=O
InChIInChI=1S/C4H3F6NO2S2/c1-11-14(12)3(7,8)2(5,6)4(9,10)15(11)13/h1H3
InChIKeyDETQYPIESMGYRP-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.08
Rot. Bonds

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

4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide (PubChem CID 139319684) 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 1,3-dioxide.

Molecular Properties

Compound Name4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide
PubChem CID139319684
Molecular FormulaC4H3F6NO2S2
Molecular Weight275.19 g/mol
Exact Mass274.95
IUPAC Name4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide
SMILESCN1S(=O)C(F)(F)C(F)(F)C(F)(F)S1=O
InChIInChI=1S/C4H3F6NO2S2/c1-11-14(12)3(7,8)2(5,6)4(9,10)15(11)13/h1H3
InChIKeyDETQYPIESMGYRP-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide?
The IUPAC name of 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide (CID 139319684) is 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide.
What is the SMILES notation for 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide?
The canonical SMILES for 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide is CN1S(=O)C(F)(F)C(F)(F)C(F)(F)S1=O.
What is the InChIKey of 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide?
The InChIKey is DETQYPIESMGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6NO2S2/c1-11-14(12)3(7,8)2(5,6)4(9,10)15(11)13/h1H3.
What are the key properties of 4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide?
4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,3-dioxide has a molecular weight of 275.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 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 1,3-dioxide is sourced from PubChem (CID 139319684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).