1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine

C9H13F6NO2S — CID 58108244

IUPAC1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H13F6NO2S/c1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyXPKFZUPTUJBXBR-UHFFFAOYSA-N
MW313.26 g/mol
LogP2.69
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine (PubChem CID 58108244) has the molecular formula C9H13F6NO2S and a molecular weight of 313.26 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
PubChem CID58108244
Molecular FormulaC9H13F6NO2S
Molecular Weight313.26 g/mol
Exact Mass313.06
IUPAC Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H13F6NO2S/c1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyXPKFZUPTUJBXBR-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 52.69
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-Butyl-1-methylpiperidinium trifluoromethanesulfonate
CID 60196383
1-((Trifluoromethyl)sulfonyl)piperidine
CID 11085234
1-Methyl-1-propylpiperidinium triflate
CID 87090822
N,N-dimethylpiperidinium trifluoromethanesulfonate
CID 22020311
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1-(1,1-Difluoro-3-iodoheptylsulfonyl)piperidine
CID 129823521
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1,1,2,2,3,3-Hexafluoro-3-(piperidin-1-ylsulfonyl)propane-1-sulfonic acid
CID 23144941
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 57981554
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57981555
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethyl)propane-1-sulfonamide
CID 58031149
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58051951

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine (CID 58108244) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine?
The InChIKey is XPKFZUPTUJBXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2S/c1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16/h2-6H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine?
1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine has a molecular weight of 313.26 g/mol, XLogP of 2.69, 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)piperidine is sourced from PubChem (CID 58108244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).