3-(5-bromo-2-fluorophenyl)piperazin-2-one

C10H10BrFN2O — CID 62349992

IUPAC3-(5-bromo-2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15)
InChIKeyMPKMNFFUDGLRHK-UHFFFAOYSA-N
MW273.10 g/mol
LogP1.35
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)piperazin-2-one

3-(5-bromo-2-fluorophenyl)piperazin-2-one (PubChem CID 62349992) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)piperazin-2-one
PubChem CID62349992
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name3-(5-bromo-2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCNC1c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15)
InChIKeyMPKMNFFUDGLRHK-UHFFFAOYSA-N
XLogP1.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)piperazin-2-one?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)piperazin-2-one (CID 62349992) is 3-(5-bromo-2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)piperazin-2-one is O=C1NCCNC1c1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)piperazin-2-one?
The InChIKey is MPKMNFFUDGLRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-2,5,9,13H,3-4H2,(H,14,15).
What are the key properties of 3-(5-bromo-2-fluorophenyl)piperazin-2-one?
3-(5-bromo-2-fluorophenyl)piperazin-2-one has a molecular weight of 273.10 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 62349992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).