N-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)phenylalanine
Chemical Structure Depiction of
N-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)phenylalanine
N-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)phenylalanine
Compound characteristics
| Compound ID: | 1611-1693 |
| Compound Name: | N-(4,4,4-trifluoro-3-oxobut-1-en-1-yl)phenylalanine |
| Molecular Weight: | 287.24 |
| Molecular Formula: | C13 H12 F3 N O3 |
| Smiles: | C(C(C(O)=O)N/C=C/C(C(F)(F)F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5587 |
| logD: | -2.1753 |
| logSw: | -1.4647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.103 |
| InChI Key: | MLIIENMBDGAIEZ-JTQLQIEISA-N |