1-(difluoromethylsulfonyl)piperidine

C6H11F2NO2S — CID 58435991

IUPAC1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCCC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8)12(10,11)9-4-2-1-3-5-9/h6H,1-5H2
InChIKeyPXIRRSGBENTSMM-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.02
Rot. Bonds2

About 1-(difluoromethylsulfonyl)piperidine

1-(difluoromethylsulfonyl)piperidine (PubChem CID 58435991) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)piperidine
PubChem CID58435991
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCCC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8)12(10,11)9-4-2-1-3-5-9/h6H,1-5H2
InChIKeyPXIRRSGBENTSMM-UHFFFAOYSA-N
XLogP1.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.02
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
4,4-Difluoropiperidine-1-sulfonyl chloride
CID 53256750
1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
1-Methyl-1-propylpiperidinium triflate
CID 87090822
4-Fluoro-4-methyl-1-methylsulfonylpiperidine
CID 165041438
1-Methanesulfonylpiperidine
CID 273952
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
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)piperidine?
The IUPAC name of 1-(difluoromethylsulfonyl)piperidine (CID 58435991) is 1-(difluoromethylsulfonyl)piperidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)piperidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)piperidine is O=S(=O)(C(F)F)N1CCCCC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)piperidine?
The InChIKey is PXIRRSGBENTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8)12(10,11)9-4-2-1-3-5-9/h6H,1-5H2.
What are the key properties of 1-(difluoromethylsulfonyl)piperidine?
1-(difluoromethylsulfonyl)piperidine has a molecular weight of 199.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)piperidine is sourced from PubChem (CID 58435991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).