[1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate

C7H10F6NO6S2+ — CID 57181545

IUPAC[1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate
SMILESO=S(=O)(O[N+]1(OS(=O)(=O)C(F)(F)F)CCCCC1)C(F)(F)F
InChIInChI=1S/C7H10F6NO6S2/c8-6(9,10)21(15,16)19-14(4-2-1-3-5-14)20-22(17,18)7(11,12)13/h1-5H2/q+1
InChIKeyXFSJHFZVJKSNEU-UHFFFAOYSA-N
MW382.28 g/mol
LogP1.55
Rot. Bonds4

About [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate

[1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate (PubChem CID 57181545) has the molecular formula C7H10F6NO6S2+ and a molecular weight of 382.28 g/mol. Its IUPAC name is [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate
PubChem CID57181545
Molecular FormulaC7H10F6NO6S2+
Molecular Weight382.28 g/mol
Exact Mass381.98
IUPAC Name[1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate
SMILESO=S(=O)(O[N+]1(OS(=O)(=O)C(F)(F)F)CCCCC1)C(F)(F)F
InChIInChI=1S/C7H10F6NO6S2/c8-6(9,10)21(15,16)19-14(4-2-1-3-5-14)20-22(17,18)7(11,12)13/h1-5H2/q+1
InChIKeyXFSJHFZVJKSNEU-UHFFFAOYSA-N
XLogP1.55
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(1-Fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 56979856
[1-(Trifluoromethylsulfonyl)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 90797662
(1-Methylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 13234692
Piperidin-1-ium 1-oxide;trifluoromethanesulfonate
CID 17779154
Piperidin-1-yl 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate
CID 57587799
Piperidin-1-yl 1,1,2,2,3,3-hexafluoro-3-(trioxidanylsulfanyl)propane-1-sulfonate
CID 57587800
[Difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 59392258
1,1,2,2,3,3-Hexafluoro-3-piperidin-1-yloxysulfonylpropane-1-sulfonic acid
CID 88894529
[1-(2,2,2-Trifluoroethyl)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 91116142
(2,6-Difluoro-1-methylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 91235162
Piperidin-1-yl 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate
CID 138623084
[Difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethyl)azanide
CID 140677494

Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate?
The IUPAC name of [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate (CID 57181545) is [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate.
What is the SMILES notation for [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate?
The canonical SMILES for [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate is O=S(=O)(O[N+]1(OS(=O)(=O)C(F)(F)F)CCCCC1)C(F)(F)F.
What is the InChIKey of [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate?
The InChIKey is XFSJHFZVJKSNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6NO6S2/c8-6(9,10)21(15,16)19-14(4-2-1-3-5-14)20-22(17,18)7(11,12)13/h1-5H2/q+1.
What are the key properties of [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate?
[1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate has a molecular weight of 382.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate is sourced from PubChem (CID 57181545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).