Basic information
- Standard SMILES
CCC(C(=O)c1ccc(Br)c(F)c1)C(=O)C(F)(F)F- InChIKey
NCJRJJZXLMNNBV-UHFFFAOYSA-N- Molecular formula
- C12H9BrF4O2
- Average molar mass
- 341.1 g/mol
Names & identifiers
- Preferred name
- 1-(4-Bromo-3-fluorophenyl)-2-ethyl-4,4,4-trifluoro-1,3-butanedione
- IUPAC
- 1-(4-bromo-3-fluorophenyl)-2-ethyl-4,4,4-trifluorobutane-1,3-dione
Names & synonyms
1-(4-bromo-3-fluorophenyl)-2-ethyl-4,4,4-trifluoro-1,3-butanedioneSCHEMBL6322376
Database identifiers
- PubChem CID
- 22313802
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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