U7Q
Summary
| Name: | ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine |
| Formula: | C15 H10 F4 N2 |
| Formal charge: | 0 |
| Formula weight: | 294.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10F4N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h3-7,9-10H,8H2,(H,20,21) |
| InChIKey | InChI | 1.03 | LOCKKGFITVJYKW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C#CCNc2ccnc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C#CCNc2ccnc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F |
