Diethyl 2-methyl-3,4,6-trifluorobenzoylmalonate
Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1c(F)cc(F)c(F)c1C- InChIKey
SQHCDYRQORBXJX-UHFFFAOYSA-N- Molecular formula
- C15H15F3O5
- Average molar mass
- 332.27 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-methyl-3,4,6-trifluorobenzoylmalonate
- IUPAC
- diethyl 2-(3,4,6-trifluoro-2-methylbenzoyl)propanedioate
Names & synonyms
SCHEMBL5501281SQHCDYRQORBXJX-UHFFFAOYSA-Ndiethyl 2-methyl-3,4,6-trifluorobenzoylmalonate
Database identifiers
- PubChem CID
- 17879412
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Related reactions
10 records
Compound notes
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