1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol

C11H20F3NO3S — CID 103943153

IUPAC1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO3S/c1-9(16)10-3-6-15(7-4-10)19(17,18)8-2-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyZDALZTRUUGIEHO-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.75
Rot. Bonds5

About 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol

1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol (PubChem CID 103943153) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol
PubChem CID103943153
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO3S/c1-9(16)10-3-6-15(7-4-10)19(17,18)8-2-5-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyZDALZTRUUGIEHO-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-[1-(oxolan-3-ylmethylsulfonyl)piperidin-4-yl]ethanol
CID 75427686
(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
CID 164639391
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
[2,2,2-Trifluoro-1-(1-methylsulfonylpiperidin-4-yl)ethyl] hypoiodite
CID 90048100
(3S,5R)-5-(difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716174
5-(Difluoromethyl)-1-methylsulfonylpiperidin-3-ol
CID 126716175
(3S,4R)-1-(difluoromethylsulfonyl)-4-methylpiperidin-3-ol
CID 167090116
(3S,4S)-4-tert-butyl-1-(difluoromethylsulfonyl)piperidin-3-ol
CID 171582012
(3S,4S)-4-methyl-1-(trifluoromethylsulfonyl)piperidin-3-ol
CID 176688190

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol (CID 103943153) is 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol is CC(O)C1CCN(S(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol?
The InChIKey is ZDALZTRUUGIEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c1-9(16)10-3-6-15(7-4-10)19(17,18)8-2-5-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol?
1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol has a molecular weight of 303.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103943153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).