Basic information
- Standard SMILES
CC(=O)OC(c1ccc(C=O)cc1)(C(F)(F)F)C(F)(F)F- InChIKey
QBFPKDQGFZYEHV-UHFFFAOYSA-N- Molecular formula
- C12H8F6O3
- Average molar mass
- 314.18 g/mol
Names & identifiers
- Preferred name
- 4-[1-(Acetyloxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzaldehyde
- IUPAC
- [1,1,1,3,3,3-hexafluoro-2-(4-formylphenyl)propan-2-yl] acetate
Names & synonyms
4-[1-(acetyloxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzaldehydeSCHEMBL10689790
Database identifiers
- PubChem CID
- 20151854
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Related reactions
1 records
Compound notes
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