Y3N
Summary
| Name: | N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide |
| Formula: | C10 H7 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 228.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-cyano-2-(trifluoromethyl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)Nc1ccc(cc1C(F)(F)F)C#N |
| InChI | InChI | 1.06 | InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16) |
| InChIKey | InChI | 1.06 | OBFBGHKUUCGSPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1C(F)(F)F)C#N |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1C(F)(F)F)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1C(F)(F)F)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1C(F)(F)F)C#N |
