1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol

C8H15F2NO3S — CID 103834568

IUPAC1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H15F2NO3S/c1-6(12)7-2-4-11(5-3-7)15(13,14)8(9)10/h6-8,12H,2-5H2,1H3
InChIKeyBHHWHCFXADUSAS-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.63
Rot. Bonds3

About 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol

1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol (PubChem CID 103834568) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol
PubChem CID103834568
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H15F2NO3S/c1-6(12)7-2-4-11(5-3-7)15(13,14)8(9)10/h6-8,12H,2-5H2,1H3
InChIKeyBHHWHCFXADUSAS-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethylsulfonyl)piperidin-3-ol
CID 43502938
(3R,4R,5S)-5-(Difluoromethyl)-1-(methanesulfonyl)piperidine 3,4-diol
CID 51356757
4-Fluoro-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450198
1-Methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450253
1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
4-Fluoro-1-methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxy-ethyl)piperidine
CID 67402461
2,2,2-Trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
CID 70886776
5-(Difluoromethyl)-1-methylsulfonylpiperidine-3,4-diol
CID 75631488
[2,2,2-Trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethyl] hypoiodite
CID 90048053
[2,2,2-Trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethyl] hypoiodite
CID 90048075
[2,2,2-Trifluoro-1-(1-methylsulfonylpiperidin-4-yl)ethyl] hypoiodite
CID 90048100
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716174

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol (CID 103834568) is 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol?
The InChIKey is BHHWHCFXADUSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c1-6(12)7-2-4-11(5-3-7)15(13,14)8(9)10/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol?
1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol has a molecular weight of 243.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethylsulfonyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103834568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).