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

C11H20F4N2O — CID 154601254

IUPAC2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC(F)(F)C(F)F)CN1
InChIInChI=1S/C11H20F4N2O/c1-10(2,3)7-4-17-8(5-16-7)18-6-11(14,15)9(12)13/h7-9,16-17H,4-6H2,1-3H3
InChIKeyKTODWUOPYUREKD-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.84
Rot. Bonds4

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

2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine (PubChem CID 154601254) has the molecular formula C11H20F4N2O and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
PubChem CID154601254
Molecular FormulaC11H20F4N2O
Molecular Weight272.29 g/mol
Exact Mass272.15
IUPAC Name2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC(F)(F)C(F)F)CN1
InChIInChI=1S/C11H20F4N2O/c1-10(2,3)7-4-17-8(5-16-7)18-6-11(14,15)9(12)13/h7-9,16-17H,4-6H2,1-3H3
InChIKeyKTODWUOPYUREKD-UHFFFAOYSA-N
XLogP1.84
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
The IUPAC name of 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine (CID 154601254) is 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine.
What is the SMILES notation for 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
The canonical SMILES for 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine is CC(C)(C)C1CNC(OCC(F)(F)C(F)F)CN1.
What is the InChIKey of 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
The InChIKey is KTODWUOPYUREKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4N2O/c1-10(2,3)7-4-17-8(5-16-7)18-6-11(14,15)9(12)13/h7-9,16-17H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine?
2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine has a molecular weight of 272.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2,3,3-tetrafluoropropoxy)piperazine is sourced from PubChem (CID 154601254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).