Basic information
- Standard SMILES
CCOC(=O)CC(=O)c1cc(F)c(F)c(OC(F)F)c1F- InChIKey
AYGQMFUEKSIFEK-UHFFFAOYSA-N- Molecular formula
- C12H9F5O4
- Average molar mass
- 312.19 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-difluoromethoxy-2,4,5-trifluorobenzoylacetate
- IUPAC
- ethyl 3-[3-(difluoromethoxy)-2,4,5-trifluorophenyl]-3-oxopropanoate
Names & synonyms
ethyl 3-difluoromethoxy-2,4,5-trifluorobenzoylacetateSCHEMBL7811132
Database identifiers
- PubChem CID
- 15023784
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Related reactions
8 records
Compound notes
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