1-[2-(2,2-difluoroethoxy)ethyl]piperazine

C8H16F2N2O — CID 82004068

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]piperazine
SMILESFC(F)COCCN1CCNCC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)7-13-6-5-12-3-1-11-2-4-12/h8,11H,1-7H2
InChIKeyRISYRRZMCUNLGO-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.17
Rot. Bonds5

About 1-[2-(2,2-difluoroethoxy)ethyl]piperazine

1-[2-(2,2-difluoroethoxy)ethyl]piperazine (PubChem CID 82004068) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]piperazine
PubChem CID82004068
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]piperazine
SMILESFC(F)COCCN1CCNCC1
InChIInChI=1S/C8H16F2N2O/c9-8(10)7-13-6-5-12-3-1-11-2-4-12/h8,11H,1-7H2
InChIKeyRISYRRZMCUNLGO-UHFFFAOYSA-N
XLogP0.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.17
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 1-[2-(2,2-difluoroethoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]piperazine (CID 82004068) is 1-[2-(2,2-difluoroethoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]piperazine is FC(F)COCCN1CCNCC1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]piperazine?
The InChIKey is RISYRRZMCUNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c9-8(10)7-13-6-5-12-3-1-11-2-4-12/h8,11H,1-7H2.
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]piperazine?
1-[2-(2,2-difluoroethoxy)ethyl]piperazine has a molecular weight of 194.22 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)ethyl]piperazine is sourced from PubChem (CID 82004068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).