1-(3-bromo-2-chloro-5-fluorophenyl)piperazine

C10H11BrClFN2 — CID 69244564

IUPAC1-(3-bromo-2-chloro-5-fluorophenyl)piperazine
SMILESFc1cc(Br)c(Cl)c(N2CCNCC2)c1
InChIInChI=1S/C10H11BrClFN2/c11-8-5-7(13)6-9(10(8)12)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyCZZKIHOJCVOFHG-UHFFFAOYSA-N
MW293.57 g/mol
LogP2.65
Rot. Bonds1

About 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine

1-(3-bromo-2-chloro-5-fluorophenyl)piperazine (PubChem CID 69244564) has the molecular formula C10H11BrClFN2 and a molecular weight of 293.57 g/mol. Its IUPAC name is 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-2-chloro-5-fluorophenyl)piperazine
PubChem CID69244564
Molecular FormulaC10H11BrClFN2
Molecular Weight293.57 g/mol
Exact Mass291.98
IUPAC Name1-(3-bromo-2-chloro-5-fluorophenyl)piperazine
SMILESFc1cc(Br)c(Cl)c(N2CCNCC2)c1
InChIInChI=1S/C10H11BrClFN2/c11-8-5-7(13)6-9(10(8)12)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyCZZKIHOJCVOFHG-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine?
The IUPAC name of 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine (CID 69244564) is 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine?
The canonical SMILES for 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine is Fc1cc(Br)c(Cl)c(N2CCNCC2)c1.
What is the InChIKey of 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine?
The InChIKey is CZZKIHOJCVOFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFN2/c11-8-5-7(13)6-9(10(8)12)15-3-1-14-2-4-15/h5-6,14H,1-4H2.
What are the key properties of 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine?
1-(3-bromo-2-chloro-5-fluorophenyl)piperazine has a molecular weight of 293.57 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chloro-5-fluorophenyl)piperazine is sourced from PubChem (CID 69244564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).