1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine

C9H17F2NO2S — CID 58122733

IUPAC1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(C)(F)F
InChIInChI=1S/C9H17F2NO2S/c1-7-5-4-6-8(2)12(7)15(13,14)9(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyGCAWIIRXKBQULV-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.19
Rot. Bonds2

About 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine

1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine (PubChem CID 58122733) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine
PubChem CID58122733
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC Name1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(C)(F)F
InChIInChI=1S/C9H17F2NO2S/c1-7-5-4-6-8(2)12(7)15(13,14)9(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyGCAWIIRXKBQULV-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine (CID 58122733) is 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine is CC1CCCC(C)N1S(=O)(=O)C(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine?
The InChIKey is GCAWIIRXKBQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-7-5-4-6-8(2)12(7)15(13,14)9(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine?
1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine has a molecular weight of 241.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 58122733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).