1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine

C13H21F6NO2S — CID 88916723

IUPAC1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H21F6NO2S/c1-9(2)7-6-8-10(3,4)20(9)23(21,22)13(18,19)12(16,17)11(5,14)15/h6-8H2,1-5H3
InChIKeyKSIYRBZPRUQDCO-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.24
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine (PubChem CID 88916723) has the molecular formula C13H21F6NO2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine
PubChem CID88916723
Molecular FormulaC13H21F6NO2S
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H21F6NO2S/c1-9(2)7-6-8-10(3,4)20(9)23(21,22)13(18,19)12(16,17)11(5,14)15/h6-8H2,1-5H3
InChIKeyKSIYRBZPRUQDCO-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine (CID 88916723) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The InChIKey is KSIYRBZPRUQDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6NO2S/c1-9(2)7-6-8-10(3,4)20(9)23(21,22)13(18,19)12(16,17)11(5,14)15/h6-8H2,1-5H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine?
1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine has a molecular weight of 369.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 88916723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).