2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone

C8H12F3NO2 — CID 93426879

IUPAC2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCCC[C@@H]1CO)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-4-2-1-3-6(12)5-13/h6,13H,1-5H2/t6-/m1/s1
InChIKeyTVUMGJRPEDRGBY-ZCFIWIBFSA-N
MW211.18 g/mol
LogP0.92
Rot. Bonds1

About 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 93426879) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID93426879
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCCC[C@@H]1CO)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-4-2-1-3-6(12)5-13/h6,13H,1-5H2/t6-/m1/s1
InChIKeyTVUMGJRPEDRGBY-ZCFIWIBFSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 21846889
2,2,2-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylacetamide
CID 53643997
[1-(2,2,2-Trifluoroethyl)piperidin-2-yl]methanol
CID 60774899
[1-(2,2-Difluoroethyl)piperidin-2-yl]methanol
CID 62022333
2,2,2-trifluoro-1-[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 117635119
2,2,2-trifluoro-1-[(2R,5R)-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 132022401
(2R)-4,4-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 135240435
2,2-difluoro-1-[(2R,5R)-2-fluoro-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 141721610
[(2R)-1-(2,2,2-trifluoroacetyl)piperidin-2-yl]methylperoxythallium
CID 142455278
2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 153951885
2-(2,2,2-Trifluoro-1-hydroxyethyl)piperidine-1-carboxylic acid
CID 156067145
5,5-Difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 172798789

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 93426879) is 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(N1CCCC[C@@H]1CO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is TVUMGJRPEDRGBY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(14)12-4-2-1-3-6(12)5-13/h6,13H,1-5H2/t6-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 211.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 93426879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).