YXK
Summary
| Name: | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile |
| Formula: | C7 H6 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 189.138 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile |
| OpenEye OEToolkits | 2.0.7 | 2-[1-[2,2,2-tris(fluoranyl)ethyl]imidazol-2-yl]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)Cn1ccnc1CC#N |
| InChI | InChI | 1.06 | InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2 |
| InChIKey | InChI | 1.06 | WWHCIFNAXSSZJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Cn1ccnc1CC#N |
| SMILES | CACTVS | 3.385 | FC(F)(F)Cn1ccnc1CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn(c(n1)CC#N)CC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(c(n1)CC#N)CC(F)(F)F |
