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

C10H15F6NO2S — CID 126638172

IUPAC1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H15F6NO2S/c1-6-4-3-5-7(2)17(6)20(18,19)10(15,16)9(13,14)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyCJISEMZUGGDMRP-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.07
Rot. Bonds4

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

1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine (PubChem CID 126638172) has the molecular formula C10H15F6NO2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine
PubChem CID126638172
Molecular FormulaC10H15F6NO2S
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H15F6NO2S/c1-6-4-3-5-7(2)17(6)20(18,19)10(15,16)9(13,14)8(11)12/h6-8H,3-5H2,1-2H3
InChIKeyCJISEMZUGGDMRP-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.07
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
(1-Fluoro-2,6-dimethylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 57236093
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-Difluoroethylsulfonyl)piperidine
CID 58122750
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1,1,2,2,3,3-hexafluoro-N-methyl-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 58240456
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
1-(1,1-Difluoroprop-1-en-2-ylsulfonyl)piperidine
CID 58291402

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine (CID 126638172) is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine is CC1CCCC(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine?
The InChIKey is CJISEMZUGGDMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2S/c1-6-4-3-5-7(2)17(6)20(18,19)10(15,16)9(13,14)8(11)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine?
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine has a molecular weight of 327.29 g/mol, XLogP of 3.07, 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-hexafluoropropylsulfonyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 126638172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).