1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine

C11H17F6NO2S — CID 88869798

IUPAC1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)C1
InChIInChI=1S/C11H17F6NO2S/c1-7-4-8(2)6-18(5-7)21(19,20)11(16,17)10(14,15)9(3,12)13/h7-8H,4-6H2,1-3H3
InChIKeyYKPBUTBVAYPGOQ-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.18
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine (PubChem CID 88869798) 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)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine
PubChem CID88869798
Molecular FormulaC11H17F6NO2S
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)C1
InChIInChI=1S/C11H17F6NO2S/c1-7-4-8(2)6-18(5-7)21(19,20)11(16,17)10(14,15)9(3,12)13/h7-8H,4-6H2,1-3H3
InChIKeyYKPBUTBVAYPGOQ-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
1-(3,3,4,4-Tetrafluorohexylsulfonyl)piperidine
CID 59623487

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine (CID 88869798) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)C1.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine?
The InChIKey is YKPBUTBVAYPGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2S/c1-7-4-8(2)6-18(5-7)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)-3,5-dimethylpiperidine?
1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,5-dimethylpiperidine has a molecular weight of 341.32 g/mol, XLogP of 3.18, 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)-3,5-dimethylpiperidine is sourced from PubChem (CID 88869798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).