2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone

C8H13F3N2O2 — CID 166752840

IUPAC2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN[C@@H](CCO)C1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)13-3-2-12-6(5-13)1-4-14/h6,12,14H,1-5H2/t6-/m0/s1
InChIKeyOIEIDPQYZDSTNB-LURJTMIESA-N
MW226.20 g/mol
LogP-0.27
Rot. Bonds2

About 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 166752840) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID166752840
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCN[C@@H](CCO)C1)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)13-3-2-12-6(5-13)1-4-14/h6,12,14H,1-5H2/t6-/m0/s1
InChIKeyOIEIDPQYZDSTNB-LURJTMIESA-N
XLogP-0.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 166752840) is 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(N1CCN[C@@H](CCO)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is OIEIDPQYZDSTNB-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)7(15)13-3-2-12-6(5-13)1-4-14/h6,12,14H,1-5H2/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 226.20 g/mol, XLogP of -0.27, 2 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-[(3S)-3-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166752840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).