2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol

C11H20F3NO3S — CID 83059845

IUPAC2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)5-2-8-19(17,18)15-6-1-3-10(9-15)4-7-16/h10,16H,1-9H2
InChIKeyLTWNMXBGOBHNGC-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.75
Rot. Bonds6

About 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol

2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol (PubChem CID 83059845) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol
PubChem CID83059845
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)5-2-8-19(17,18)15-6-1-3-10(9-15)4-7-16/h10,16H,1-9H2
InChIKeyLTWNMXBGOBHNGC-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[1-[(2,2-Difluorocyclohexyl)methylsulfonyl]azepan-4-yl]ethanol
CID 136548377
[1-(Difluoromethylsulfonyl)piperidin-4-yl]methanol
CID 60956552
2-[1-(Trifluoromethylsulfonyl)piperidin-3-yl]ethanol
CID 62355756
2-[1-(Difluoromethylsulfonyl)piperidin-3-yl]ethanol
CID 62356107
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732239
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylethanol
CID 65732241
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65732431
3-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732813
4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65733771
2-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65733963
2-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylethanol
CID 65733965
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65734153

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol (CID 83059845) is 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol is O=S(=O)(CCCC(F)(F)F)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol?
The InChIKey is LTWNMXBGOBHNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c12-11(13,14)5-2-8-19(17,18)15-6-1-3-10(9-15)4-7-16/h10,16H,1-9H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol?
2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol has a molecular weight of 303.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 83059845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).