1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine

C7H10F4NO6S2- — CID 58961980

IUPAC1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)OC(F)(F)SOO[O-]
InChIInChI=1S/C7H11F4NO6S2/c8-6(9,19-18-17-13)16-7(10,11)20(14,15)12-4-2-1-3-5-12/h13H,1-5H2/p-1
InChIKeyKUCFJYFNCNOVBJ-UHFFFAOYSA-M
MW344.28 g/mol
LogP0.79
Rot. Bonds7

About 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine

1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine (PubChem CID 58961980) has the molecular formula C7H10F4NO6S2- and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
PubChem CID58961980
Molecular FormulaC7H10F4NO6S2-
Molecular Weight344.28 g/mol
Exact Mass343.99
IUPAC Name1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)OC(F)(F)SOO[O-]
InChIInChI=1S/C7H11F4NO6S2/c8-6(9,19-18-17-13)16-7(10,11)20(14,15)12-4-2-1-3-5-12/h13H,1-5H2/p-1
InChIKeyKUCFJYFNCNOVBJ-UHFFFAOYSA-M
XLogP0.79
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
N-methyl-N-methoxymethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716398
[1-(Trifluoromethylsulfonyl)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 90797662
1-[1,1-Difluoroethoxy(difluoro)methyl]sulfonylpiperidine
CID 58122698
1-[Difluoromethoxy(difluoro)methyl]sulfonylpiperidine
CID 58435944
1-(Difluoromethoxymethylsulfonyl)piperidine
CID 58436036
1-[Difluoro(oxidoperoxysulfanyl)methyl]sulfonylpiperidine
CID 58961839
1-[Difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine
CID 58961840
1-[[Difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961981
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962061
1-[[Difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962062
1-(1,1,2,2,3,3-Hexafluoro-3-methoxyperoxysulfanylpropyl)sulfonylpiperidine
CID 58997826

Frequently Asked Questions

What is the IUPAC name of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
The IUPAC name of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine (CID 58961980) is 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine.
What is the SMILES notation for 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
The canonical SMILES for 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine is O=S(=O)(N1CCCCC1)C(F)(F)OC(F)(F)SOO[O-].
What is the InChIKey of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
The InChIKey is KUCFJYFNCNOVBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11F4NO6S2/c8-6(9,19-18-17-13)16-7(10,11)20(14,15)12-4-2-1-3-5-12/h13H,1-5H2/p-1.
What are the key properties of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine has a molecular weight of 344.28 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine is sourced from PubChem (CID 58961980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).