2-(3-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]ethan-1-one
2-(3-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S890-0263 |
| Compound Name: | 2-(3-fluorophenyl)-1-[rel-(3aR,4R,7aS)-4-hydroxyoctahydro-2H-isoindol-2-yl]ethan-1-one |
| Molecular Weight: | 277.34 |
| Molecular Formula: | C16 H20 F N O2 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(Cc1cccc(c1)F)=O)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7616 |
| logD: | 1.7616 |
| logSw: | -1.8974 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.129 |
| InChI Key: | MLVFPNHPXJHXTA-SNPRPXQTSA-N |