Basic information
- Standard SMILES
CC(=O)CC(=O)OC/C=C/C(F)(F)F- InChIKey
PIUPMASKJHPMRN-NSCUHMNNSA-N- Molecular formula
- C8H9F3O3
- Average molar mass
- 210.15 g/mol
Names & identifiers
- Preferred name
- trans-4,4,4-Trifluoro-2-buten-1-yl acetoacetate
- IUPAC
- [(E)-4,4,4-trifluorobut-2-enyl] 3-oxobutanoate
Names & synonyms
trans-4,4,4-trifluoro-2-buten-1-yl acetoacetateSCHEMBL7396674
Database identifiers
- PubChem CID
- 86758741
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
2 records
Compound notes
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