2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol

C12H21F2NO3S — CID 79553806

IUPAC2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol
SMILESO=S(=O)(C(F)F)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C12H21F2NO3S/c13-12(14)19(17,18)15-8-4-3-6-10(15)9-5-1-2-7-11(9)16/h9-12,16H,1-8H2
InChIKeyLEUIZDYIJXZMMC-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.94
Rot. Bonds3

About 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 79553806) has the molecular formula C12H21F2NO3S and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID79553806
Molecular FormulaC12H21F2NO3S
Molecular Weight297.37 g/mol
Exact Mass297.12
IUPAC Name2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol
SMILESO=S(=O)(C(F)F)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C12H21F2NO3S/c13-12(14)19(17,18)15-8-4-3-6-10(15)9-5-1-2-7-11(9)16/h9-12,16H,1-8H2
InChIKeyLEUIZDYIJXZMMC-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol (CID 79553806) is 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol is O=S(=O)(C(F)F)N1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is LEUIZDYIJXZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3S/c13-12(14)19(17,18)15-8-4-3-6-10(15)9-5-1-2-7-11(9)16/h9-12,16H,1-8H2.
What are the key properties of 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 297.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 79553806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).