LVL
Summary
| Name: | 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile |
| Formula: | C11 H7 F3 N2 |
| Formal charge: | 0 |
| Formula weight: | 224.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[5-(trifluoromethyl)-1~{H}-indol-3-yl]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2 |
| InChIKey | InChI | 1.06 | RLNKXFUKNFUIHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccc2[nH]cc(CC#N)c2c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccc2[nH]cc(CC#N)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(F)(F)F)c(c[nH]2)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(F)(F)F)c(c[nH]2)CC#N |
