4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C4H5F4NO4S2 — CID 130280146

IUPAC4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(F)(F)CC(F)(F)S1(=O)=O
InChIInChI=1S/C4H5F4NO4S2/c1-9-14(10,11)3(5,6)2-4(7,8)15(9,12)13/h2H2,1H3
InChIKeyVGCPWOIXOAUEJD-UHFFFAOYSA-N
MW271.21 g/mol
LogP0.17
Rot. Bonds

About 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 130280146) has the molecular formula C4H5F4NO4S2 and a molecular weight of 271.21 g/mol. Its IUPAC name is 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID130280146
Molecular FormulaC4H5F4NO4S2
Molecular Weight271.21 g/mol
Exact Mass270.96
IUPAC Name4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(F)(F)CC(F)(F)S1(=O)=O
InChIInChI=1S/C4H5F4NO4S2/c1-9-14(10,11)3(5,6)2-4(7,8)15(9,12)13/h2H2,1H3
InChIKeyVGCPWOIXOAUEJD-UHFFFAOYSA-N
XLogP0.17
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-Pentafluoro-6-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58341496
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58997829
4,4,6,6-Tetrafluoro-5-methyl-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 59503101
4,4,6,6-Tetrafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 59503102
1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 88582497
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,1-dioxide
CID 88919222
4,4,5,5,6,6-Hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3-trioxide
CID 89194426
4,4,5,6,6-Pentafluoro-5-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 117656082
1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide
CID 123766494
1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 123797305

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 130280146) is 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CN1S(=O)(=O)C(F)(F)CC(F)(F)S1(=O)=O.
What is the InChIKey of 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is VGCPWOIXOAUEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4NO4S2/c1-9-14(10,11)3(5,6)2-4(7,8)15(9,12)13/h2H2,1H3.
What are the key properties of 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 271.21 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 130280146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).