propan-2-yl 2-cyano-3-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}prop-2-enoate
Chemical Structure Depiction of
propan-2-yl 2-cyano-3-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}prop-2-enoate
propan-2-yl 2-cyano-3-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}prop-2-enoate
Compound characteristics
| Compound ID: | Y500-6220 |
| Compound Name: | propan-2-yl 2-cyano-3-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}prop-2-enoate |
| Molecular Weight: | 441.35 |
| Molecular Formula: | C21 H16 F5 N O4 |
| Smiles: | CC(C)OC(C(=C/c1ccc(c(COc2c(c(c(c(c2F)F)F)F)F)c1)OC)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2761 |
| logD: | 5.2761 |
| logSw: | -5.3007 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.759 |
| InChI Key: | ICXDKBIONFZOMG-UHFFFAOYSA-N |