3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine

C9H17F2NO2S — CID 170610814

IUPAC3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine
SMILESCC(C)C1CN(S(C)(=O)=O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)8-4-9(10,11)6-12(5-8)15(3,13)14/h7-8H,4-6H2,1-3H3
InChIKeySWCIMUOPAMSLBF-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.56
Rot. Bonds2

About 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine

3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine (PubChem CID 170610814) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine
PubChem CID170610814
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine
SMILESCC(C)C1CN(S(C)(=O)=O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-7(2)8-4-9(10,11)6-12(5-8)15(3,13)14/h7-8H,4-6H2,1-3H3
InChIKeySWCIMUOPAMSLBF-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
1-Isobutyl-4-{1-[(2,2,2-trifluoroethyl)sulfonyl]-3-pyrrolidinyl}piperidine
CID 45249519
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573076
N-(2-ethyl-3,3-dimethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 58573607
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
4-Methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59862750
4-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 59862807

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine (CID 170610814) is 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine is CC(C)C1CN(S(C)(=O)=O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine?
The InChIKey is SWCIMUOPAMSLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7(2)8-4-9(10,11)6-12(5-8)15(3,13)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine?
3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine has a molecular weight of 241.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylsulfonyl-5-propan-2-ylpiperidine is sourced from PubChem (CID 170610814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).