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

C11H21F2NO2S — CID 58122784

IUPAC1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(C)(F)F
InChIInChI=1S/C11H21F2NO2S/c1-9(2)7-6-8-10(3,4)14(9)17(15,16)11(5,12)13/h6-8H2,1-5H3
InChIKeyJMRPOCACWPELRA-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.97
Rot. Bonds2

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

1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine (PubChem CID 58122784) has the molecular formula C11H21F2NO2S and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine
PubChem CID58122784
Molecular FormulaC11H21F2NO2S
Molecular Weight269.36 g/mol
Exact Mass269.13
IUPAC Name1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(C)(F)F
InChIInChI=1S/C11H21F2NO2S/c1-9(2)7-6-8-10(3,4)14(9)17(15,16)11(5,12)13/h6-8H2,1-5H3
InChIKeyJMRPOCACWPELRA-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.97
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)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine (CID 58122784) is 1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1S(=O)(=O)C(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The InChIKey is JMRPOCACWPELRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2S/c1-9(2)7-6-8-10(3,4)14(9)17(15,16)11(5,12)13/h6-8H2,1-5H3.
What are the key properties of 1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine?
1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine has a molecular weight of 269.36 g/mol, XLogP of 2.97, 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)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 58122784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).