A1C1N
Summary
| Name: | 1-(6-fluoro-1H-indol-3-yl)ethan-1-one |
| Formula: | C10 H8 F N O |
| Formal charge: | 0 |
| Formula weight: | 177.175 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(6-fluoro-1H-indol-3-yl)ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-(6-fluoranyl-1~{H}-indol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)c1c[NH]c2cc(F)ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H8FNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3 |
| InChIKey | InChI | 1.06 | UZFSNUWTPYUTNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c[nH]c2cc(F)ccc12 |
| SMILES | CACTVS | 3.385 | CC(=O)c1c[nH]c2cc(F)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1c[nH]c2c1ccc(c2)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1c[nH]c2c1ccc(c2)F |
