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

C5H6F5NO4S2 — CID 126695656

IUPAC5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCCC1(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C1(F)F
InChIInChI=1S/C5H6F5NO4S2/c1-2-3(6)4(7,8)16(12,13)11-17(14,15)5(3,9)10/h11H,2H2,1H3
InChIKeyLZPMUNJWEULXQP-UHFFFAOYSA-N
MW303.23 g/mol
LogP0.55
Rot. Bonds1

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

5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 126695656) has the molecular formula C5H6F5NO4S2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID126695656
Molecular FormulaC5H6F5NO4S2
Molecular Weight303.23 g/mol
Exact Mass302.97
IUPAC Name5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCCC1(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C1(F)F
InChIInChI=1S/C5H6F5NO4S2/c1-2-3(6)4(7,8)16(12,13)11-17(14,15)5(3,9)10/h11H,2H2,1H3
InChIKeyLZPMUNJWEULXQP-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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 126695656) is 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CCC1(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C1(F)F.
What is the InChIKey of 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is LZPMUNJWEULXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO4S2/c1-2-3(6)4(7,8)16(12,13)11-17(14,15)5(3,9)10/h11H,2H2,1H3.
What are the key properties of 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
5-ethyl-4,4,5,6,6-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 5-ethyl-4,4,5,6,6-pentafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 126695656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).