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

C13H11BrFNO3 — CID 59205086

IUPAC(6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione
SMILESCC(=O)C1C(=O)C[C@H](c2ccc(F)cc2Br)NC1=O
InChIInChI=1S/C13H11BrFNO3/c1-6(17)12-11(18)5-10(16-13(12)19)8-3-2-7(15)4-9(8)14/h2-4,10,12H,5H2,1H3,(H,16,19)/t10-,12?/m1/s1
InChIKeyWEVBQJIBHFIYGD-RWANSRKNSA-N
MW328.14 g/mol
LogP1.92
Rot. Bonds2

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

(6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione (PubChem CID 59205086) has the molecular formula C13H11BrFNO3 and a molecular weight of 328.14 g/mol. Its IUPAC name is (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione.

Molecular Properties

Compound Name(6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione
PubChem CID59205086
Molecular FormulaC13H11BrFNO3
Molecular Weight328.14 g/mol
Exact Mass326.99
IUPAC Name(6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione
SMILESCC(=O)C1C(=O)C[C@H](c2ccc(F)cc2Br)NC1=O
InChIInChI=1S/C13H11BrFNO3/c1-6(17)12-11(18)5-10(16-13(12)19)8-3-2-7(15)4-9(8)14/h2-4,10,12H,5H2,1H3,(H,16,19)/t10-,12?/m1/s1
InChIKeyWEVBQJIBHFIYGD-RWANSRKNSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione?
The IUPAC name of (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione (CID 59205086) is (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione.
What is the SMILES notation for (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione?
The canonical SMILES for (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione is CC(=O)C1C(=O)C[C@H](c2ccc(F)cc2Br)NC1=O.
What is the InChIKey of (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione?
The InChIKey is WEVBQJIBHFIYGD-RWANSRKNSA-N. The full InChI is InChI=1S/C13H11BrFNO3/c1-6(17)12-11(18)5-10(16-13(12)19)8-3-2-7(15)4-9(8)14/h2-4,10,12H,5H2,1H3,(H,16,19)/t10-,12?/m1/s1.
What are the key properties of (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione?
(6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione has a molecular weight of 328.14 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-acetyl-6-(2-bromo-4-fluorophenyl)piperidine-2,4-dione is sourced from PubChem (CID 59205086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).