3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione

C13H11BrFNO4 — CID 166405783

IUPAC3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione
SMILESCC(=O)c1cc(Br)cc(F)c1OC1CCC(=O)NC1=O
InChIInChI=1S/C13H11BrFNO4/c1-6(17)8-4-7(14)5-9(15)12(8)20-10-2-3-11(18)16-13(10)19/h4-5,10H,2-3H2,1H3,(H,16,18,19)
InChIKeyWDLOCZNOEFTUJG-UHFFFAOYSA-N
MW344.14 g/mol
LogP1.97
Rot. Bonds3

About 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione

3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione (PubChem CID 166405783) has the molecular formula C13H11BrFNO4 and a molecular weight of 344.14 g/mol. Its IUPAC name is 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione
PubChem CID166405783
Molecular FormulaC13H11BrFNO4
Molecular Weight344.14 g/mol
Exact Mass342.99
IUPAC Name3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione
SMILESCC(=O)c1cc(Br)cc(F)c1OC1CCC(=O)NC1=O
InChIInChI=1S/C13H11BrFNO4/c1-6(17)8-4-7(14)5-9(15)12(8)20-10-2-3-11(18)16-13(10)19/h4-5,10H,2-3H2,1H3,(H,16,18,19)
InChIKeyWDLOCZNOEFTUJG-UHFFFAOYSA-N
XLogP1.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.14
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione?
The IUPAC name of 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione (CID 166405783) is 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione?
The canonical SMILES for 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione is CC(=O)c1cc(Br)cc(F)c1OC1CCC(=O)NC1=O.
What is the InChIKey of 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione?
The InChIKey is WDLOCZNOEFTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO4/c1-6(17)8-4-7(14)5-9(15)12(8)20-10-2-3-11(18)16-13(10)19/h4-5,10H,2-3H2,1H3,(H,16,18,19).
What are the key properties of 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione?
3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione has a molecular weight of 344.14 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetyl-4-bromo-6-fluorophenoxy)piperidine-2,6-dione is sourced from PubChem (CID 166405783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).