2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone

C7H11F3N2O2 — CID 175896251

IUPAC2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCNC[C@H]1C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-1-2-12(5)6(14)4-13/h5,11,13H,1-4H2/t5-/m0/s1
InChIKeyBXFZEVNYTGCJPE-YFKPBYRVSA-N
MW212.17 g/mol
LogP-0.66
Rot. Bonds1

About 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone

2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone (PubChem CID 175896251) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
PubChem CID175896251
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCNC[C@H]1C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-1-2-12(5)6(14)4-13/h5,11,13H,1-4H2/t5-/m0/s1
InChIKeyBXFZEVNYTGCJPE-YFKPBYRVSA-N
XLogP-0.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone
CID 167011796
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
2-[2-(trifluoromethyl)-1,4-diazepan-1-yl]ethanol
CID 115101625
2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone
CID 59815617
(2,4-dimethylpyrimidin-5-yl)-[2-(trifluoromethyl)piperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 172894959
(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[2-(trifluoromethyl)piperazin-1-yl]methanone
CID 172896022
(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
CID 175159453
1-(2-tert-butylpiperazin-1-yl)-4-(3H-1,2,4-triazol-5-yl)butan-1-one
CID 129255667
1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
2-(hydroxymethyl)piperazine-1-carboxamide
CID 175982295
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone (CID 175896251) is 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone is O=C(CO)N1CCNC[C@H]1C(F)(F)F.
What is the InChIKey of 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The InChIKey is BXFZEVNYTGCJPE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-1-2-12(5)6(14)4-13/h5,11,13H,1-4H2/t5-/m0/s1.
What are the key properties of 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone has a molecular weight of 212.17 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 175896251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).