LQP
Summary
| Name: | 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one |
| Formula: | C10 H15 F2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{a}~{R},6~{a}~{S})-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrol-2-yl]-2-[bis(fluoranyl)methoxy]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)OCC(=O)N1CC2CCCC2C1 |
| InChI | InChI | 1.03 | InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+ |
| InChIKey | InChI | 1.03 | GFKMUMPBDKROCT-OCAPTIKFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)OCC(=O)N1C[C@H]2CCC[C@H]2C1 |
| SMILES | CACTVS | 3.385 | FC(F)OCC(=O)N1C[CH]2CCC[CH]2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2CN(CC2C1)C(=O)COC(F)F |
