4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C5H6F5NO4S2 — CID 139545651

IUPAC4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCCC1(F)C(F)(F)C(F)(F)S(=O)(=O)NS1(=O)=O
InChIInChI=1S/C5H6F5NO4S2/c1-2-3(6)4(7,8)5(9,10)17(14,15)11-16(3,12)13/h11H,2H2,1H3
InChIKeyZLUJRBQANNVKPS-UHFFFAOYSA-N
MW303.23 g/mol
LogP0.55
Rot. Bonds1

About 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide

4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 139545651) has the molecular formula C5H6F5NO4S2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID139545651
Molecular FormulaC5H6F5NO4S2
Molecular Weight303.23 g/mol
Exact Mass302.97
IUPAC Name4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCCC1(F)C(F)(F)C(F)(F)S(=O)(=O)NS1(=O)=O
InChIInChI=1S/C5H6F5NO4S2/c1-2-3(6)4(7,8)5(9,10)17(14,15)11-16(3,12)13/h11H,2H2,1H3
InChIKeyZLUJRBQANNVKPS-UHFFFAOYSA-N
XLogP0.55
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 139545651) is 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CCC1(F)C(F)(F)C(F)(F)S(=O)(=O)NS1(=O)=O.
What is the InChIKey of 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is ZLUJRBQANNVKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO4S2/c1-2-3(6)4(7,8)5(9,10)17(14,15)11-16(3,12)13/h11H,2H2,1H3.
What are the key properties of 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 303.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 139545651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).