Basic information
- CAS
578-29-0- Standard SMILES
Cc1cc(C(=O)CC(=O)C(F)(F)F)c(C)o1- InChIKey
BHOMEGVDWHEJTQ-UHFFFAOYSA-N- Molecular formula
- C10H9F3O3
- Average molar mass
- 234.17 g/mol
- Monoisotopic mass
- 234.05037863
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione
- IUPAC
- 1-(2,5-dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione
Names & synonyms
1-(2,5-dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione578-29-0NSC80405DTXSID802921281,3-Butanedione,1-(2,5-dimethyl-3-furanyl)-4,4,4-trifluoro-AAA57829NSC-80405AKOS009248190DS-008318EN300-76457G27470
Database identifiers
- CAS
578-29-0- PubChem CID
- 255149
- DTXSID
DTXSID80292128
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…