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

C10H15F3N2O3 — CID 64880047

IUPAC6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-2-7-9(17)14-5-8(16)15(7)3-4-18-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyOGXPYVLSLKSPAU-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.30
Rot. Bonds5

About 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione

6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione (PubChem CID 64880047) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
PubChem CID64880047
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCOCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-2-7-9(17)14-5-8(16)15(7)3-4-18-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17)
InChIKeyOGXPYVLSLKSPAU-UHFFFAOYSA-N
XLogP0.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.30
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 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione (CID 64880047) is 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCOCC(F)(F)F.
What is the InChIKey of 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
The InChIKey is OGXPYVLSLKSPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-7-9(17)14-5-8(16)15(7)3-4-18-6-10(11,12)13/h7H,2-6H2,1H3,(H,14,17).
What are the key properties of 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione?
6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione has a molecular weight of 268.23 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64880047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).