6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C5H5F6NO4S2 — CID 154519884

IUPAC6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(C(F)F)C(F)(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C5H5F6NO4S2/c1-12-17(13,14)2(3(6)7)4(8,9)5(10,11)18(12,15)16/h2-3H,1H3
InChIKeyWNBUMGFASMMFKQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP0.45
Rot. Bonds1

About 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 154519884) has the molecular formula C5H5F6NO4S2 and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID154519884
Molecular FormulaC5H5F6NO4S2
Molecular Weight321.22 g/mol
Exact Mass320.96
IUPAC Name6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCN1S(=O)(=O)C(C(F)F)C(F)(F)C(F)(F)S1(=O)=O
InChIInChI=1S/C5H5F6NO4S2/c1-12-17(13,14)2(3(6)7)4(8,9)5(10,11)18(12,15)16/h2-3H,1H3
InChIKeyWNBUMGFASMMFKQ-UHFFFAOYSA-N
XLogP0.45
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 312737
4,4,5,5-Tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 23593419
4,4,5,5-Tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 57583623
4,4,5,5-Tetrafluoro-6-(trifluoromethyl)-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 57669246
4,4,5,5-Tetrafluoro-6-(trifluoromethyl)-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 57669247
4,4,5,5,6-Pentafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58220487
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-(Trifluoromethyl)-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 59450404
4-(Trifluoromethyl)-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 59450405
4,4-Difluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 59623485

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 154519884) is 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CN1S(=O)(=O)C(C(F)F)C(F)(F)C(F)(F)S1(=O)=O.
What is the InChIKey of 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is WNBUMGFASMMFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6NO4S2/c1-12-17(13,14)2(3(6)7)4(8,9)5(10,11)18(12,15)16/h2-3H,1H3.
What are the key properties of 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 321.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 154519884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).