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

C7H11F3N2O — CID 58542246

IUPAC1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-5(13)12-3-2-11-4-6(12)7(8,9)10/h6,11H,2-4H2,1H3
InChIKeyJDGVVGXRGRYCSJ-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds

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

1-[2-(trifluoromethyl)piperazin-1-yl]ethanone (PubChem CID 58542246) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
PubChem CID58542246
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-5(13)12-3-2-11-4-6(12)7(8,9)10/h6,11H,2-4H2,1H3
InChIKeyJDGVVGXRGRYCSJ-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 175896251
cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone
CID 167011796
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(E)-4-(6-chloro-2-pyridinyl)-N,2-dimethylbut-2-enamide;1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 176676767
1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
CID 176676947
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-[2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 110257792
1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone
CID 70297002
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid
CID 144913933

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone (CID 58542246) is 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone is CC(=O)N1CCNCC1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone?
The InChIKey is JDGVVGXRGRYCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-5(13)12-3-2-11-4-6(12)7(8,9)10/h6,11H,2-4H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone?
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone has a molecular weight of 196.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 58542246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).