1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine

C8H15F2NO2S — CID 58436028

IUPAC1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2NO2S/c1-6-4-3-5-7(2)11(6)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyRZAKGNUQILQBBJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.80
Rot. Bonds2

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

1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine (PubChem CID 58436028) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine
PubChem CID58436028
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)F
InChIInChI=1S/C8H15F2NO2S/c1-6-4-3-5-7(2)11(6)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyRZAKGNUQILQBBJ-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine (CID 58436028) is 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine is CC1CCCC(C)N1S(=O)(=O)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine?
The InChIKey is RZAKGNUQILQBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-6-4-3-5-7(2)11(6)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine?
1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine has a molecular weight of 227.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 58436028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).