1-(2,2-difluoropropylsulfonyl)piperidine

C8H15F2NO2S — CID 58122780

IUPAC1-(2,2-difluoropropylsulfonyl)piperidine
SMILESCC(F)(F)CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H15F2NO2S/c1-8(9,10)7-14(12,13)11-5-3-2-4-6-11/h2-7H2,1H3
InChIKeyYBGXQCLREAJBMF-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.46
Rot. Bonds3

About 1-(2,2-difluoropropylsulfonyl)piperidine

1-(2,2-difluoropropylsulfonyl)piperidine (PubChem CID 58122780) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(2,2-difluoropropylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoropropylsulfonyl)piperidine
PubChem CID58122780
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name1-(2,2-difluoropropylsulfonyl)piperidine
SMILESCC(F)(F)CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H15F2NO2S/c1-8(9,10)7-14(12,13)11-5-3-2-4-6-11/h2-7H2,1H3
InChIKeyYBGXQCLREAJBMF-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoropropylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
1-Pentylsulfonylpiperidine
CID 303124
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
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-[3,3-Difluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine
CID 57616841
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropylsulfonyl)piperidine?
The IUPAC name of 1-(2,2-difluoropropylsulfonyl)piperidine (CID 58122780) is 1-(2,2-difluoropropylsulfonyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoropropylsulfonyl)piperidine?
The canonical SMILES for 1-(2,2-difluoropropylsulfonyl)piperidine is CC(F)(F)CS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(2,2-difluoropropylsulfonyl)piperidine?
The InChIKey is YBGXQCLREAJBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-8(9,10)7-14(12,13)11-5-3-2-4-6-11/h2-7H2,1H3.
What are the key properties of 1-(2,2-difluoropropylsulfonyl)piperidine?
1-(2,2-difluoropropylsulfonyl)piperidine has a molecular weight of 227.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropylsulfonyl)piperidine is sourced from PubChem (CID 58122780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).