Basic information
- CAS
317-43-1- Standard SMILES
Cc1cc(C(=O)C(C)C(=O)C(F)(F)F)c(C)o1- InChIKey
UDYGIQMXOWZSIV-UHFFFAOYSA-N- Molecular formula
- C11H11F3O3
- Average molar mass
- 248.2 g/mol
- Monoisotopic mass
- 248.06602869
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylfuran-3-yl)-4,4,4-trifluoro-2-methylbutane-1,3-dione
- IUPAC
- 1-(2,5-dimethylfuran-3-yl)-4,4,4-trifluoro-2-methylbutane-1,3-dione
Names & synonyms
317-43-11-(2,5-dimethylfuran-3-yl)-4,4,4-trifluoro-2-methylbutane-1,3-dioneNSC80403DTXSID20292127NSC-804031,3-Butanedione,1-(2,5-dimethyl-3-furanyl)-4,4,4-trifluoro-2-methyl-DS-008319
Database identifiers
- CAS
317-43-1- PubChem CID
- 255148
- DTXSID
DTXSID20292127
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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