Basic information
- Standard SMILES
CCOC(=O)C(C(=O)OCC)C(=O)c1c(C)c(F)c(F)c(F)c1F- InChIKey
DXBANQIUOLUZST-UHFFFAOYSA-N- Molecular formula
- C15H14F4O5
- Average molar mass
- 350.26 g/mol
Names & identifiers
- Preferred name
- Diethyl 6-methyl-2,3,4,5-tetrafluorobenzoylmalonate
- IUPAC
- diethyl 2-(2,3,4,5-tetrafluoro-6-methylbenzoyl)propanedioate
Names & synonyms
SCHEMBL8102404DXBANQIUOLUZST-UHFFFAOYSA-Ndiethyl 6-methyl-2,3,4,5-tetrafluorobenzoyl-malonatediethyl 6-methyl-2,3,4,5-tetrafluorobenzoylmalonate
Database identifiers
- PubChem CID
- 53783746
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
5 records
Compound notes
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