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

C7H11F4NO6S2 — CID 58961981

IUPAC1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)OC(F)(F)SOOO
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
InChIKeyKUCFJYFNCNOVBJ-UHFFFAOYSA-N
MW345.29 g/mol
LogP1.99
Rot. Bonds7

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

1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine (PubChem CID 58961981) has the molecular formula C7H11F4NO6S2 and a molecular weight of 345.29 g/mol. Its IUPAC name is 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
PubChem CID58961981
Molecular FormulaC7H11F4NO6S2
Molecular Weight345.29 g/mol
Exact Mass345.00
IUPAC Name1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)OC(F)(F)SOOO
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
InChIKeyKUCFJYFNCNOVBJ-UHFFFAOYSA-N
XLogP1.99
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
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

1,1,2,2,3,3-Hexafluoro-3-(piperidin-1-ylsulfonyl)propane-1-sulfonic acid
CID 23144941
1-[Difluoromethoxy(difluoro)methyl]sulfonylpiperidine
CID 58435944
1-[Difluoro(oxidoperoxysulfanyl)methyl]sulfonylpiperidine
CID 58961839
1-[Difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine
CID 58961840
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961980
1-[difluoro(trioxidanylsulfanyl)methoxy]-1,1-difluoro-N,N-dihexylmethanesulfonamide
CID 58961998
1-[2,2-Difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine
CID 58962031
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
[Difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 59392258
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide
CID 59392259

Frequently Asked Questions

What is the IUPAC name of 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
The IUPAC name of 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine (CID 58961981) is 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine.
What is the SMILES notation for 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
The canonical SMILES for 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine is O=S(=O)(N1CCCCC1)C(F)(F)OC(F)(F)SOOO.
What is the InChIKey of 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
The InChIKey is KUCFJYFNCNOVBJ-UHFFFAOYSA-N. 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.
What are the key properties of 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine?
1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine has a molecular weight of 345.29 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine is sourced from PubChem (CID 58961981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).