1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine

C11H19F4NO2S — CID 59623487

IUPAC1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine
SMILESCCC(F)(F)C(F)(F)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H19F4NO2S/c1-2-10(12,13)11(14,15)6-9-19(17,18)16-7-4-3-5-8-16/h2-9H2,1H3
InChIKeyQHIOEGVPIZHBIT-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.87
Rot. Bonds6

About 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine

1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine (PubChem CID 59623487) has the molecular formula C11H19F4NO2S and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine
PubChem CID59623487
Molecular FormulaC11H19F4NO2S
Molecular Weight305.34 g/mol
Exact Mass305.11
IUPAC Name1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine
SMILESCCC(F)(F)C(F)(F)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H19F4NO2S/c1-2-10(12,13)11(14,15)6-9-19(17,18)16-7-4-3-5-8-16/h2-9H2,1H3
InChIKeyQHIOEGVPIZHBIT-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.87
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

Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
1-Pentylsulfonylpiperidine
CID 303124
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1-(1,1-Difluoro-3-iodoheptylsulfonyl)piperidine
CID 129823521
N-octyl-N-(trifluoromethyl)butane-1-sulfonamide
CID 176438365
1-(Butane-1-sulfonyl)-2-methylpiperidine
CID 303059
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine?
The IUPAC name of 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine (CID 59623487) is 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine.
What is the SMILES notation for 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine?
The canonical SMILES for 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine is CCC(F)(F)C(F)(F)CCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine?
The InChIKey is QHIOEGVPIZHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO2S/c1-2-10(12,13)11(14,15)6-9-19(17,18)16-7-4-3-5-8-16/h2-9H2,1H3.
What are the key properties of 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine?
1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine has a molecular weight of 305.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4-tetrafluorohexylsulfonyl)piperidine is sourced from PubChem (CID 59623487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).