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

C11H17F6NO2S — CID 88916720

IUPAC1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C11H17F6NO2S/c1-7-5-4-6-8(2)18(7)21(19,20)11(16,17)10(14,15)9(3,12)13/h7-8H,4-6H2,1-3H3
InChIKeyUBBLHJQLPJMPEC-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.46
Rot. Bonds4

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

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine (PubChem CID 88916720) has the molecular formula C11H17F6NO2S and a molecular weight of 341.32 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine
PubChem CID88916720
Molecular FormulaC11H17F6NO2S
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C11H17F6NO2S/c1-7-5-4-6-8(2)18(7)21(19,20)11(16,17)10(14,15)9(3,12)13/h7-8H,4-6H2,1-3H3
InChIKeyUBBLHJQLPJMPEC-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-Difluoro-3-iodoheptylsulfonyl)piperidine
CID 129823521
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079915
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 21079917
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079918
2-Ethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 57545274
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(1,1-Difluoroethylsulfonyl)-2,6-dimethylpiperidine
CID 58122733
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
N,N-dicyclohexyl-1,1-difluoroethanesulfonamide
CID 58436010
1-(Difluoromethylsulfonyl)-2,6-dimethylpiperidine
CID 58436028
1-[Difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine
CID 58961846

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine (CID 88916720) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine is CC1CCCC(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)-2,6-dimethylpiperidine?
The InChIKey is UBBLHJQLPJMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2S/c1-7-5-4-6-8(2)18(7)21(19,20)11(16,17)10(14,15)9(3,12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine?
1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-2,6-dimethylpiperidine has a molecular weight of 341.32 g/mol, XLogP of 3.46, 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)-2,6-dimethylpiperidine is sourced from PubChem (CID 88916720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).