O1X
Summary
| Name: | (2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
| Formula: | C10 H12 F2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 230.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[bis(fluoranyl)methoxy]-~{N}-(4-methylpyridin-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C(C)OC(F)F |
| InChI | InChI | 1.06 | InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | XVSORZZOZIKMAO-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](OC(F)F)C(=O)Nc1cnccc1C |
| SMILES | CACTVS | 3.385 | C[CH](OC(F)F)C(=O)Nc1cnccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)OC(F)F |
