Basic information
- Standard SMILES
O=Cc1noc(-c2ccccc2)c1C(F)(F)F- InChIKey
YQSFRAMAGBAMKH-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO2
- Average molar mass
- 241.17 g/mol
- Monoisotopic mass
- 241.03506292
Names & identifiers
- Preferred name
- 5-Phenyl-4-(trifluoromethyl)isoxazole-3-carbaldehyde
- IUPAC
- 5-phenyl-4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde
Names & synonyms
5-phenyl-4-(trifluoromethyl)isoxazole-3-carbaldehydeSCHEMBL1807131
Database identifiers
- PubChem CID
- 86669869
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
3 records
Compound notes
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