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

C10H20F2N2O — CID 154601250

IUPAC2-tert-butyl-5-(2,2-difluoroethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC(F)F)CN1
InChIInChI=1S/C10H20F2N2O/c1-10(2,3)7-4-14-9(5-13-7)15-6-8(11)12/h7-9,13-14H,4-6H2,1-3H3
InChIKeyJWTBOFTVAUOYQE-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.20
Rot. Bonds3

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

2-tert-butyl-5-(2,2-difluoroethoxy)piperazine (PubChem CID 154601250) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-difluoroethoxy)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-difluoroethoxy)piperazine
PubChem CID154601250
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-tert-butyl-5-(2,2-difluoroethoxy)piperazine
SMILESCC(C)(C)C1CNC(OCC(F)F)CN1
InChIInChI=1S/C10H20F2N2O/c1-10(2,3)7-4-14-9(5-13-7)15-6-8(11)12/h7-9,13-14H,4-6H2,1-3H3
InChIKeyJWTBOFTVAUOYQE-UHFFFAOYSA-N
XLogP1.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.20
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-difluoroethoxy)piperazine?
The IUPAC name of 2-tert-butyl-5-(2,2-difluoroethoxy)piperazine (CID 154601250) is 2-tert-butyl-5-(2,2-difluoroethoxy)piperazine.
What is the SMILES notation for 2-tert-butyl-5-(2,2-difluoroethoxy)piperazine?
The canonical SMILES for 2-tert-butyl-5-(2,2-difluoroethoxy)piperazine is CC(C)(C)C1CNC(OCC(F)F)CN1.
What is the InChIKey of 2-tert-butyl-5-(2,2-difluoroethoxy)piperazine?
The InChIKey is JWTBOFTVAUOYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-10(2,3)7-4-14-9(5-13-7)15-6-8(11)12/h7-9,13-14H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,2-difluoroethoxy)piperazine?
2-tert-butyl-5-(2,2-difluoroethoxy)piperazine has a molecular weight of 222.28 g/mol, XLogP of 1.20, 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-(2,2-difluoroethoxy)piperazine is sourced from PubChem (CID 154601250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).