2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine

C10H19F3N2O — CID 154601191

IUPAC2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC(F)(F)F)CN1
InChIInChI=1S/C10H19F3N2O/c1-9(2,3)7-4-15-8(5-14-7)16-6-10(11,12)13/h7-8,14-15H,4-6H2,1-3H3
InChIKeyRZUOFIRHIHMOSO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.50
Rot. Bonds2

About 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine

2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine (PubChem CID 154601191) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine
PubChem CID154601191
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC(F)(F)F)CN1
InChIInChI=1S/C10H19F3N2O/c1-9(2,3)7-4-15-8(5-14-7)16-6-10(11,12)13/h7-8,14-15H,4-6H2,1-3H3
InChIKeyRZUOFIRHIHMOSO-UHFFFAOYSA-N
XLogP1.50
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine?
The IUPAC name of 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine (CID 154601191) is 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine.
What is the SMILES notation for 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine?
The canonical SMILES for 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine is CC(C)(C)C1CNC(OCC(F)(F)F)CN1.
What is the InChIKey of 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine?
The InChIKey is RZUOFIRHIHMOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(2,3)7-4-15-8(5-14-7)16-6-10(11,12)13/h7-8,14-15H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine?
2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine has a molecular weight of 240.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2,2-trifluoroethoxy)piperazine is sourced from PubChem (CID 154601191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).