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

C4H4F5NO4S2 — CID 162546900

IUPAC4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(F)(F)C(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C4H4F5NO4S2/c1-10-15(11,12)3(6,7)2(5)4(8,9)16(10,13)14/h2H,1H3
InChIKeyNNBLTUGUSRYDNT-UHFFFAOYSA-N
MW289.20 g/mol
LogP0.12
Rot. Bonds

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

4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 162546900) has the molecular formula C4H4F5NO4S2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID162546900
Molecular FormulaC4H4F5NO4S2
Molecular Weight289.20 g/mol
Exact Mass288.95
IUPAC Name4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(F)(F)C(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C4H4F5NO4S2/c1-10-15(11,12)3(6,7)2(5)4(8,9)16(10,13)14/h2H,1H3
InChIKeyNNBLTUGUSRYDNT-UHFFFAOYSA-N
XLogP0.12
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 162546900) is 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CN1S(=O)(=O)C(F)(F)C(F)C(F)(F)S1(=O)=O.
What is the InChIKey of 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is NNBLTUGUSRYDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5NO4S2/c1-10-15(11,12)3(6,7)2(5)4(8,9)16(10,13)14/h2H,1H3.
What are the key properties of 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 289.20 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6,6-pentafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 162546900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).