4,4-difluoro-1-propan-2-ylsulfonylpiperidine

C8H15F2NO2S — CID 121184672

IUPAC4,4-difluoro-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO2S/c1-7(2)14(12,13)11-5-3-8(9,10)4-6-11/h7H,3-6H2,1-2H3
InChIKeyUHTSILUPLYSHLK-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.46
Rot. Bonds2

About 4,4-difluoro-1-propan-2-ylsulfonylpiperidine

4,4-difluoro-1-propan-2-ylsulfonylpiperidine (PubChem CID 121184672) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4,4-difluoro-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-propan-2-ylsulfonylpiperidine
PubChem CID121184672
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name4,4-difluoro-1-propan-2-ylsulfonylpiperidine
SMILESCC(C)S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO2S/c1-7(2)14(12,13)11-5-3-8(9,10)4-6-11/h7H,3-6H2,1-2H3
InChIKeyUHTSILUPLYSHLK-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
1-((Trifluoromethyl)sulfonyl)piperidine
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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 4,4-difluoro-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4,4-difluoro-1-propan-2-ylsulfonylpiperidine (CID 121184672) is 4,4-difluoro-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4,4-difluoro-1-propan-2-ylsulfonylpiperidine is CC(C)S(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-propan-2-ylsulfonylpiperidine?
The InChIKey is UHTSILUPLYSHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-7(2)14(12,13)11-5-3-8(9,10)4-6-11/h7H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-1-propan-2-ylsulfonylpiperidine?
4,4-difluoro-1-propan-2-ylsulfonylpiperidine has a molecular weight of 227.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 121184672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).