4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine

C9H17F2NO2S — CID 121184679

IUPAC4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO2S/c1-8(2)7-15(13,14)12-5-3-9(10,11)4-6-12/h8H,3-7H2,1-2H3
InChIKeyWGTWOJKOHXVLRQ-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.70
Rot. Bonds3

About 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine

4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine (PubChem CID 121184679) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine
PubChem CID121184679
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO2S/c1-8(2)7-15(13,14)12-5-3-9(10,11)4-6-12/h8H,3-7H2,1-2H3
InChIKeyWGTWOJKOHXVLRQ-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
1-Pentylsulfonylpiperidine
CID 303124
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
2-Ethyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 57545274
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(1,1-Difluoroethylsulfonyl)piperidine
CID 58122750
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine (CID 121184679) is 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine is CC(C)CS(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine?
The InChIKey is WGTWOJKOHXVLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-8(2)7-15(13,14)12-5-3-9(10,11)4-6-12/h8H,3-7H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine?
4,4-difluoro-1-(2-methylpropylsulfonyl)piperidine has a molecular weight of 241.30 g/mol, XLogP of 1.70, 3 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-methylpropylsulfonyl)piperidine is sourced from PubChem (CID 121184679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).