{ethyl 3-(amino-kappaN)-4,4,4-trifluoro-2-[1-(oxo-kappaO)ethyl]but-2-enoatato}(diphenyl)boron
Chemical Structure Depiction of
{ethyl 3-(amino-kappaN)-4,4,4-trifluoro-2-[1-(oxo-kappaO)ethyl]but-2-enoatato}(diphenyl)boron
{ethyl 3-(amino-kappaN)-4,4,4-trifluoro-2-[1-(oxo-kappaO)ethyl]but-2-enoatato}(diphenyl)boron
Compound characteristics
| Compound ID: | 2811-0046 |
| Compound Name: | {ethyl 3-(amino-kappaN)-4,4,4-trifluoro-2-[1-(oxo-kappaO)ethyl]but-2-enoatato}(diphenyl)boron |
| Molecular Weight: | 389.18 |
| Molecular Formula: | C20 H19 B F3 N O3 |
| Smiles: | [B-]1(c2ccccc2)(c2ccccc2)NC(=C(C(=O)OCC)C(C)=[O+]1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5079 |
| logD: | -0.2781 |
| logSw: | -5.4844 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.118 |
| InChI Key: | QLWWTXYXRYCJKB-UHFFFAOYSA-N |