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

C7H11F3N2O2 — CID 59815604

IUPAC2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCNCC1CO)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-2-1-11-3-5(12)4-13/h5,11,13H,1-4H2
InChIKeyVKQHRRLXJFEWKS-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.66
Rot. Bonds1

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

2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone (PubChem CID 59815604) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
PubChem CID59815604
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCNCC1CO)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-2-1-11-3-5(12)4-13/h5,11,13H,1-4H2
InChIKeyVKQHRRLXJFEWKS-UHFFFAOYSA-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

(6R)-6-(hydroxymethyl)piperazin-2-one
CID 10486878
(6S)-6-(hydroxymethyl)piperazin-2-one
CID 10562223
6-(Hydroxymethyl)piperazin-2-one hydrochloride
CID 122360251
1-[3-(Hydroxymethyl)piperazin-1-yl]ethan-1-one hydrochloride
CID 167733181
N-[(2S)-2-amino-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 10631392
1-[3-(Hydroxymethyl)piperazin-1-yl]ethan-1-one
CID 19896754
2-(Methoxymethyl)-1-(trifluoroacetyl)piperazine
CID 21295713
2,2,2-Trifluoro-N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl}acetamide
CID 71411634
4-Hydroxy-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 87870383
N-[(2S)-2-amino-1,3-dihydroxypropyl]-2,2,2-trifluoroacetamide
CID 88377068
N-[(2R)-2-aminopropyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 89421101
2,2,2-trifluoro-N-(morpholin-3-ylmethyl)acetamide
CID 103548592

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone (CID 59815604) is 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone is O=C(N1CCNCC1CO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone?
The InChIKey is VKQHRRLXJFEWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-2-1-11-3-5(12)4-13/h5,11,13H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(hydroxymethyl)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 2,2,2-trifluoro-1-[2-(hydroxymethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59815604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).