(1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate

C6H10F4NO3S+ — CID 56979856

IUPAC(1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate
SMILESO=S(=O)(O[N+]1(F)CCCCC1)C(F)(F)F
InChIInChI=1S/C6H10F4NO3S/c7-6(8,9)15(12,13)14-11(10)4-2-1-3-5-11/h1-5H2/q+1
InChIKeyVHXPUCBJPOABMH-UHFFFAOYSA-N
MW252.21 g/mol
LogP1.65
Rot. Bonds2

About (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate

(1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate (PubChem CID 56979856) has the molecular formula C6H10F4NO3S+ and a molecular weight of 252.21 g/mol. Its IUPAC name is (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate
PubChem CID56979856
Molecular FormulaC6H10F4NO3S+
Molecular Weight252.21 g/mol
Exact Mass252.03
IUPAC Name(1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate
SMILESO=S(=O)(O[N+]1(F)CCCCC1)C(F)(F)F
InChIInChI=1S/C6H10F4NO3S/c7-6(8,9)15(12,13)14-11(10)4-2-1-3-5-11/h1-5H2/q+1
InChIKeyVHXPUCBJPOABMH-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
[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
(2-Chloro-1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 56978320
(1-Fluoro-4-methylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 57020031
(1-Fluoropiperidin-1-ium-1-yl) methanesulfonate
CID 57107527
[1-(Trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 57181545
(1-Fluoro-2,6-dimethylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 57236093
[1-Fluoro-3,5-bis(trifluoromethyl)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 57252359
Piperidin-1-yl 1,1,2,2,3,3-hexafluorobutane-1-sulfonate
CID 58463146
(1-Ethylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 87132279

Frequently Asked Questions

What is the IUPAC name of (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate?
The IUPAC name of (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate (CID 56979856) is (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate.
What is the SMILES notation for (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate?
The canonical SMILES for (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate is O=S(=O)(O[N+]1(F)CCCCC1)C(F)(F)F.
What is the InChIKey of (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate?
The InChIKey is VHXPUCBJPOABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4NO3S/c7-6(8,9)15(12,13)14-11(10)4-2-1-3-5-11/h1-5H2/q+1.
What are the key properties of (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate?
(1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate has a molecular weight of 252.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate is sourced from PubChem (CID 56979856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).