2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine

C11H21F3N2O — CID 154601206

IUPAC2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine
SMILESCC(C)(C)C1CNC(OCCC(F)(F)F)CN1
InChIInChI=1S/C11H21F3N2O/c1-10(2,3)8-6-16-9(7-15-8)17-5-4-11(12,13)14/h8-9,15-16H,4-7H2,1-3H3
InChIKeyRZBWQINAKWOHIB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.89
Rot. Bonds3

About 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine

2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine (PubChem CID 154601206) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine
PubChem CID154601206
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine
SMILESCC(C)(C)C1CNC(OCCC(F)(F)F)CN1
InChIInChI=1S/C11H21F3N2O/c1-10(2,3)8-6-16-9(7-15-8)17-5-4-11(12,13)14/h8-9,15-16H,4-7H2,1-3H3
InChIKeyRZBWQINAKWOHIB-UHFFFAOYSA-N
XLogP1.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.89
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-(3,3,3-trifluoropropoxy)piperazine?
The IUPAC name of 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine (CID 154601206) is 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine.
What is the SMILES notation for 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine?
The canonical SMILES for 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine is CC(C)(C)C1CNC(OCCC(F)(F)F)CN1.
What is the InChIKey of 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine?
The InChIKey is RZBWQINAKWOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(2,3)8-6-16-9(7-15-8)17-5-4-11(12,13)14/h8-9,15-16H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine?
2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine has a molecular weight of 254.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3,3,3-trifluoropropoxy)piperazine is sourced from PubChem (CID 154601206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).