1-[2-(2,3-difluorophenoxy)ethyl]piperazine

C12H16F2N2O — CID 63037635

IUPAC1-[2-(2,3-difluorophenoxy)ethyl]piperazine
SMILESFc1cccc(OCCN2CCNCC2)c1F
InChIInChI=1S/C12H16F2N2O/c13-10-2-1-3-11(12(10)14)17-9-8-16-6-4-15-5-7-16/h1-3,15H,4-9H2
InChIKeyGVVKWBONQIKJAQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.25
Rot. Bonds4

About 1-[2-(2,3-difluorophenoxy)ethyl]piperazine

1-[2-(2,3-difluorophenoxy)ethyl]piperazine (PubChem CID 63037635) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenoxy)ethyl]piperazine
PubChem CID63037635
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-[2-(2,3-difluorophenoxy)ethyl]piperazine
SMILESFc1cccc(OCCN2CCNCC2)c1F
InChIInChI=1S/C12H16F2N2O/c13-10-2-1-3-11(12(10)14)17-9-8-16-6-4-15-5-7-16/h1-3,15H,4-9H2
InChIKeyGVVKWBONQIKJAQ-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(2,3-difluorophenoxy)ethyl]piperazine (CID 63037635) is 1-[2-(2,3-difluorophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,3-difluorophenoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,3-difluorophenoxy)ethyl]piperazine is Fc1cccc(OCCN2CCNCC2)c1F.
What is the InChIKey of 1-[2-(2,3-difluorophenoxy)ethyl]piperazine?
The InChIKey is GVVKWBONQIKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-10-2-1-3-11(12(10)14)17-9-8-16-6-4-15-5-7-16/h1-3,15H,4-9H2.
What are the key properties of 1-[2-(2,3-difluorophenoxy)ethyl]piperazine?
1-[2-(2,3-difluorophenoxy)ethyl]piperazine has a molecular weight of 242.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenoxy)ethyl]piperazine is sourced from PubChem (CID 63037635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).