1-(2,3,4,5,6-pentafluorophenyl)piperazine

C10H9F5N2 — CID 2561708

IUPAC1-(2,3,4,5,6-pentafluorophenyl)piperazine
SMILESFc1c(F)c(F)c(N2CCNCC2)c(F)c1F
InChIInChI=1S/C10H9F5N2/c11-5-6(12)8(14)10(9(15)7(5)13)17-3-1-16-2-4-17/h16H,1-4H2
InChIKeyIXHIQLUASOVALJ-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.79
Rot. Bonds1

About 1-(2,3,4,5,6-pentafluorophenyl)piperazine

1-(2,3,4,5,6-pentafluorophenyl)piperazine (PubChem CID 2561708) has the molecular formula C10H9F5N2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)piperazine
PubChem CID2561708
Molecular FormulaC10H9F5N2
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)piperazine
SMILESFc1c(F)c(F)c(N2CCNCC2)c(F)c1F
InChIInChI=1S/C10H9F5N2/c11-5-6(12)8(14)10(9(15)7(5)13)17-3-1-16-2-4-17/h16H,1-4H2
InChIKeyIXHIQLUASOVALJ-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)piperazine?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)piperazine (CID 2561708) is 1-(2,3,4,5,6-pentafluorophenyl)piperazine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)piperazine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)piperazine is Fc1c(F)c(F)c(N2CCNCC2)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)piperazine?
The InChIKey is IXHIQLUASOVALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2/c11-5-6(12)8(14)10(9(15)7(5)13)17-3-1-16-2-4-17/h16H,1-4H2.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)piperazine?
1-(2,3,4,5,6-pentafluorophenyl)piperazine has a molecular weight of 252.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)piperazine is sourced from PubChem (CID 2561708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).