1-(1,1-difluoroethylsulfonyl)piperidine

C7H13F2NO2S — CID 58122750

IUPAC1-(1,1-difluoroethylsulfonyl)piperidine
SMILESCC(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H13F2NO2S/c1-7(8,9)13(11,12)10-5-3-2-4-6-10/h2-6H2,1H3
InChIKeyBLWMUPBXPLZFPH-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.41
Rot. Bonds2

About 1-(1,1-difluoroethylsulfonyl)piperidine

1-(1,1-difluoroethylsulfonyl)piperidine (PubChem CID 58122750) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(1,1-difluoroethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1-difluoroethylsulfonyl)piperidine
PubChem CID58122750
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1-(1,1-difluoroethylsulfonyl)piperidine
SMILESCC(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H13F2NO2S/c1-7(8,9)13(11,12)10-5-3-2-4-6-10/h2-6H2,1H3
InChIKeyBLWMUPBXPLZFPH-UHFFFAOYSA-N
XLogP1.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-(Difluoroiodomethylsulfonyl)piperidine
CID 129823529
(1-Methylpiperidin-1-ium-1-yl)-(trifluoromethylsulfonyl)azanide
CID 177625797
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
(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-ylsulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58051951
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethylsulfonyl)piperidine?
The IUPAC name of 1-(1,1-difluoroethylsulfonyl)piperidine (CID 58122750) is 1-(1,1-difluoroethylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1-difluoroethylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1-difluoroethylsulfonyl)piperidine is CC(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,1-difluoroethylsulfonyl)piperidine?
The InChIKey is BLWMUPBXPLZFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-7(8,9)13(11,12)10-5-3-2-4-6-10/h2-6H2,1H3.
What are the key properties of 1-(1,1-difluoroethylsulfonyl)piperidine?
1-(1,1-difluoroethylsulfonyl)piperidine has a molecular weight of 213.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethylsulfonyl)piperidine is sourced from PubChem (CID 58122750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).