4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione

C10H8BrFN2O2 — CID 107603680

IUPAC4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2c(F)cccc2Br)CC(=O)N1
InChIInChI=1S/C10H8BrFN2O2/c11-6-2-1-3-7(12)10(6)14-4-8(15)13-9(16)5-14/h1-3H,4-5H2,(H,13,15,16)
InChIKeyUSSCCJSXPKWDBX-UHFFFAOYSA-N
MW287.09 g/mol
LogP1.05
Rot. Bonds1

About 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione

4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione (PubChem CID 107603680) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
PubChem CID107603680
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
SMILESO=C1CN(c2c(F)cccc2Br)CC(=O)N1
InChIInChI=1S/C10H8BrFN2O2/c11-6-2-1-3-7(12)10(6)14-4-8(15)13-9(16)5-14/h1-3H,4-5H2,(H,13,15,16)
InChIKeyUSSCCJSXPKWDBX-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-6-fluorophenyl)pyrrolidin-3-one
CID 107600598
4-(2-amino-3-fluorophenyl)piperazine-2,6-dione
CID 66082916
1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione
CID 107600944
1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
CID 139569555
4-(2,3,4,5,6-pentafluorophenyl)piperazine-2,6-dione
CID 115565016
2-(3,5-dioxopiperazin-1-yl)-6-fluorobenzonitrile
CID 79512638
(3R)-1-(2-bromo-6-fluorophenyl)-3-deuteriopyrrolidine
CID 175934790
9-(2-bromo-6-fluorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107604995
4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 66061645
4-[3-fluoro-2-(methylaminomethyl)phenyl]piperazine-2,6-dione
CID 114065682
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 83844763

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione (CID 107603680) is 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione is O=C1CN(c2c(F)cccc2Br)CC(=O)N1.
What is the InChIKey of 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione?
The InChIKey is USSCCJSXPKWDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c11-6-2-1-3-7(12)10(6)14-4-8(15)13-9(16)5-14/h1-3H,4-5H2,(H,13,15,16).
What are the key properties of 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione?
4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione has a molecular weight of 287.09 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione is sourced from PubChem (CID 107603680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).