W14
Summary
| Name: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol |
| Formula: | C11 H10 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 245.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone |
| OpenEye OEToolkits | 1.7.0 | 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)C(=O)N2Cc1c(ccc(O)c1)CC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F |
| SMILES | CACTVS | 3.370 | Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1O)CN(CC2)C(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2 |
| InChIKey | InChI | 1.03 | OZASZYYBDFCSHO-UHFFFAOYSA-N |
