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

C11H21F3N2O — CID 64840444

IUPAC2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC1CNC(C)(C)CN1CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9-6-15-10(2,3)7-16(9)4-5-17-8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyGRHBQSWYBVKICE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds4

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

2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64840444) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64840444
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC1CNC(C)(C)CN1CCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9-6-15-10(2,3)7-16(9)4-5-17-8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyGRHBQSWYBVKICE-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
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 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64840444) is 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CC1CNC(C)(C)CN1CCOCC(F)(F)F.
What is the InChIKey of 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is GRHBQSWYBVKICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9-6-15-10(2,3)7-16(9)4-5-17-8-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64840444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).