A1JBF
Summary
| Name: | 7-(trifluoromethyl)-1~{H}-quinolin-4-one |
| Formula: | C10 H6 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 213.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-(trifluoromethyl)-1~{H}-quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15) |
| InChIKey | InChI | 1.06 | OWPLFJSQLPTCHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc2C(=O)C=CNc2c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc2C(=O)C=CNc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(F)(F)F)NC=CC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(F)(F)F)NC=CC2=O |
