3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

C11H21F3N2O — CID 64834410

IUPAC3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)C1CN(CCOCC(F)(F)F)CCN1
InChIInChI=1S/C11H21F3N2O/c1-9(2)10-7-16(4-3-15-10)5-6-17-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyANTCGCWUSZGBQT-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds5

About 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine

3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (PubChem CID 64834410) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
PubChem CID64834410
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
SMILESCC(C)C1CN(CCOCC(F)(F)F)CCN1
InChIInChI=1S/C11H21F3N2O/c1-9(2)10-7-16(4-3-15-10)5-6-17-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyANTCGCWUSZGBQT-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
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 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The IUPAC name of 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine (CID 64834410) is 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The canonical SMILES for 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is CC(C)C1CN(CCOCC(F)(F)F)CCN1.
What is the InChIKey of 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
The InChIKey is ANTCGCWUSZGBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2)10-7-16(4-3-15-10)5-6-17-8-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine?
3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 64834410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).