4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine

C12H23F2NO2S — CID 59634290

IUPAC4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine
SMILESCC(C)(C)C(C)(C)S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2NO2S/c1-10(2,3)11(4,5)18(16,17)15-8-6-12(13,14)7-9-15/h6-9H2,1-5H3
InChIKeyPHUGTHQBAOXVJA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.87
Rot. Bonds2

About 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine

4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine (PubChem CID 59634290) has the molecular formula C12H23F2NO2S and a molecular weight of 283.38 g/mol. Its IUPAC name is 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine
PubChem CID59634290
Molecular FormulaC12H23F2NO2S
Molecular Weight283.38 g/mol
Exact Mass283.14
IUPAC Name4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine
SMILESCC(C)(C)C(C)(C)S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2NO2S/c1-10(2,3)11(4,5)18(16,17)15-8-6-12(13,14)7-9-15/h6-9H2,1-5H3
InChIKeyPHUGTHQBAOXVJA-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
4-Methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
CID 88854828
3,5-Ditert-butyl-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
CID 88869797
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-3,5-dimethylpiperidine
CID 88869798
1-(2-Fluoro-3-methylbutan-2-yl)sulfonylpiperidine
CID 90320463
(3R,4R)-3,4-dimethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 117884544

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine (CID 59634290) is 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine is CC(C)(C)C(C)(C)S(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine?
The InChIKey is PHUGTHQBAOXVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2S/c1-10(2,3)11(4,5)18(16,17)15-8-6-12(13,14)7-9-15/h6-9H2,1-5H3.
What are the key properties of 4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine?
4,4-difluoro-1-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine has a molecular weight of 283.38 g/mol, XLogP of 2.87, 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-(2,3,3-trimethylbutan-2-ylsulfonyl)piperidine is sourced from PubChem (CID 59634290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).