2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol

C8H14F3NO3S — CID 62355756

IUPAC2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(N1CCCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c9-8(10,11)16(14,15)12-4-1-2-7(6-12)3-5-13/h7,13H,1-6H2
InChIKeyYATUMCLAHMDYMN-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.93
Rot. Bonds3

About 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol

2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol (PubChem CID 62355756) has the molecular formula C8H14F3NO3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol
PubChem CID62355756
Molecular FormulaC8H14F3NO3S
Molecular Weight261.26 g/mol
Exact Mass261.06
IUPAC Name2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(N1CCCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C8H14F3NO3S/c9-8(10,11)16(14,15)12-4-1-2-7(6-12)3-5-13/h7,13H,1-6H2
InChIKeyYATUMCLAHMDYMN-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402269
[1-(Trifluoromethylsulfonyl)piperidin-3-yl]methanol
CID 43589682
[1-(Difluoromethylsulfonyl)piperidin-4-yl]methanol
CID 60956552
[1-(Trifluoromethylsulfonyl)piperidin-4-yl]methanol
CID 60958443
2-[1-(Difluoromethylsulfonyl)piperidin-3-yl]ethanol
CID 62356107
4,4,4-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609549
1,1,1-Trifluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79612134
5,5,5-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79952729
[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]methanol
CID 83057919
2-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-3-yl]ethanol
CID 83059845
1-[1-(Difluoromethylsulfonyl)piperidin-4-yl]ethanol
CID 103834568
(2R)-1,1,1-trifluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 104374026

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol (CID 62355756) is 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol is O=S(=O)(N1CCCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol?
The InChIKey is YATUMCLAHMDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3S/c9-8(10,11)16(14,15)12-4-1-2-7(6-12)3-5-13/h7,13H,1-6H2.
What are the key properties of 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol?
2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol has a molecular weight of 261.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethylsulfonyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62355756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).