1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one
1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | K780-0974 |
| Compound Name: | 1-[4-(chloromethyl)-1-methyl-1H-pyrrol-2-yl]-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 225.59 |
| Molecular Formula: | C8 H7 Cl F3 N O |
| Smiles: | Cn1cc(C[Cl])cc1C(C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0311 |
| logD: | 2.0311 |
| logSw: | -2.1471 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 16.2869 |
| InChI Key: | QBZKNVFAHMFTPA-UHFFFAOYSA-N |