3-(4-Amino-2,3,5,6-tetrafluorophenyl)-3-ethylpiperidine-2,6-dione
Basic information
- CAS
113423-70-4- Standard SMILES
CCC1(c2c(F)c(F)c(N)c(F)c2F)CCC(=O)NC1=O- InChIKey
VQMSWWCIWKGHRH-UHFFFAOYSA-N- Molecular formula
- C13H12F4N2O2
- Average molar mass
- 304.24 g/mol
- Monoisotopic mass
- 304.08349028
Names & identifiers
- Preferred name
- 3-(4-Amino-2,3,5,6-tetrafluorophenyl)-3-ethylpiperidine-2,6-dione
- IUPAC
- 3-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethylpiperidine-2,6-dione
Names & synonyms
NSC629719113423-70-43-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethylpiperidine-2,6-dioneCHEMBL2004379DTXSID603270833-(4-Amino-2,3,5,6-tetrafluorophenyl)-3-ethyl-2,6-piperidinedione2,6-Piperidinedione, 3-ethyl-3-(4-amino-2,3,5,6- tetrafluorophenyl)-NSC-629719NCI60_0096402, 3-ethyl-3-(4-amino-2,3,5,6- tetrafluorophenyl)-3-(4-amino-2,3,5,6-tetrafluoro-phenyl)-3-ethyl-piperidine-2,6-dione
Database identifiers
- CAS
113423-70-4- PubChem CID
- 364080
- DTXSID
DTXSID60327083- ChEMBL
CHEMBL2004379
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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