1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione

C8H11F3N2O3 — CID 64873258

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCOCC(F)(F)F)C(=O)CN1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5-16-2-1-13-4-6(14)12-3-7(13)15/h1-5H2,(H,12,14)
InChIKeyMMUZOWJYGGRATJ-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.48
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione

1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione (PubChem CID 64873258) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
PubChem CID64873258
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCOCC(F)(F)F)C(=O)CN1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5-16-2-1-13-4-6(14)12-3-7(13)15/h1-5H2,(H,12,14)
InChIKeyMMUZOWJYGGRATJ-UHFFFAOYSA-N
XLogP-0.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione (CID 64873258) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione is O=C1CN(CCOCC(F)(F)F)C(=O)CN1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The InChIKey is MMUZOWJYGGRATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)5-16-2-1-13-4-6(14)12-3-7(13)15/h1-5H2,(H,12,14).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione has a molecular weight of 240.18 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64873258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).