1-Amino-4-(2-fluorophenyl)-2,5-piperazinedione
Completing data — refresh the page later to see the latest
Basic information
- CAS
724705-40-2- Standard SMILES
NN1CC(=O)N(c2ccccc2F)CC1=O- InChIKey
RAOJXRXKPAXEJU-UHFFFAOYSA-N- Molecular formula
- C10H10FN3O2
- Average molar mass
- 223.2 g/mol
- Monoisotopic mass
- 223.07570473
Names & identifiers
- Preferred name
- 1-Amino-4-(2-fluorophenyl)-2,5-piperazinedione
- IUPAC
- 1-amino-4-(2-fluorophenyl)piperazine-2,5-dione
- English name
- 1-amino-4-(2-fluorophenyl)-2,5-piperazinedione
- Molecular formula
- C10H10FN3O2
- Molecular weight
- 223.2
Names & synonyms
1-amino-4-(2-fluorophenyl)-2,5-piperazinedione1-amino-4-(2-fluorophenyl)piperazine-2,5-dioneCCG-238836AO-476/43362741SR-01000003562SR-01000003562-12,5-Piperazinedione, 1-amino-4-(2-fluorophenyl)-
Database identifiers
- CAS
724705-40-2- PubChem CID
- 2816690
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 476 · 476.0±55.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- 0.81 · 0.81±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…