Basic information
- CAS
391-10-6- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1- InChIKey
YCTRFLJIVGYLTG-UHFFFAOYSA-N- Molecular formula
- C17H10F3NO3
- Average molar mass
- 333.26 g/mol
- Monoisotopic mass
- 333.06127767
Names & identifiers
- Preferred name
- 2-[2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl]isoindole-1,3-dione
- IUPAC
- 2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]isoindole-1,3-dione
Names & synonyms
391-10-62-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]isoindole-1,3-dione2-(2-Oxo-2-(4-(trifluoromethyl)phenyl)ethyl)i soindoline-1,3-dioneNSC334051Maybridge4_001945DTXSID60318693YCTRFLJIVGYLTG-UHFFFAOYSA-NHMS1526I09NSC-334051DS-003848BRD-K53001593-001-01-02-{2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
391-10-6- PubChem CID
- 333372
- DTXSID
DTXSID60318693
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…