2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol

C9H16F3NO3S — CID 70886776

IUPAC2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
SMILESCC1(C(O)C(F)(F)F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H16F3NO3S/c1-8(7(14)9(10,11)12)3-5-13(6-4-8)17(2,15)16/h7,14H,3-6H2,1-2H3
InChIKeyONUMQAWLCFAKBO-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.97
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol

2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol (PubChem CID 70886776) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
PubChem CID70886776
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol
SMILESCC1(C(O)C(F)(F)F)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H16F3NO3S/c1-8(7(14)9(10,11)12)3-5-13(6-4-8)17(2,15)16/h7,14H,3-6H2,1-2H3
InChIKeyONUMQAWLCFAKBO-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450234
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)ethyl] hypoiodite
CID 90048053
(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
5,5-Dimethyl-1-methylsulfonylpiperidin-3-ol
CID 135055639
[1-(Difluoromethylsulfonyl)piperidin-4-yl]methanol
CID 60956552

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol (CID 70886776) is 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol is CC1(C(O)C(F)(F)F)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol?
The InChIKey is ONUMQAWLCFAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-8(7(14)9(10,11)12)3-5-13(6-4-8)17(2,15)16/h7,14H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol?
2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol has a molecular weight of 275.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methyl-1-methylsulfonylpiperidin-4-yl)ethanol is sourced from PubChem (CID 70886776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).