4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile
Chemical Structure Depiction of
4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile
4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile
Compound characteristics
| Compound ID: | R095-0009 |
| Compound Name: | 4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile |
| Molecular Weight: | 213.16 |
| Molecular Formula: | C10 H6 F3 N O |
| Smiles: | C(C(C(C(F)(F)F)=O)c1ccccc1)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1867 |
| logD: | 2.0797 |
| logSw: | -2.4389 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 31.0332 |
| InChI Key: | BLFCSOQPFPFQHF-MRVPVSSYSA-N |