2-((1E)-4,4,4-Trifluoro-3-oxo-1-buten-1-yl)-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
120417-46-1- Standard SMILES
O=C1c2ccccc2C(=O)N1/C=C/C(=O)C(F)(F)F- InChIKey
CQPADFPPSNRZAE-AATRIKPKSA-N- Molecular formula
- C12H6F3NO3
- Average molar mass
- 269.18 g/mol
- Monoisotopic mass
- 269.02997754
Names & identifiers
- Preferred name
- 2-((1E)-4,4,4-Trifluoro-3-oxo-1-buten-1-yl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]isoindole-1,3-dione
Names & synonyms
120417-46-12-[(1E)-4,4,4-Trifluoro-3-oxo-1-buten-1-yl]-1H-isoindole-1,3(2H)-dione2-((1E)-4,4,4-Trifluoro-3-oxo-1-buten-1-yl)-1H-isoindole-1,3(2H)-dioneRefChem:249141DTXSID7011543162-[(1E)-4,4,4-Trifluoro-3-oxobut-1-en-1-yl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
120417-46-1- PubChem CID
- 11054697
- DTXSID
DTXSID701154316- Nikkaji
- J2.714.626K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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