A2J
Summary
| Name: | 3-(trifluoromethyl)quinoxalin-2(1H)-one |
| Formula: | C9 H5 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 214.144 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(trifluoromethyl)quinoxalin-2(1H)-one |
| OpenEye OEToolkits | 2.0.6 | 3-(trifluoromethyl)-1~{H}-quinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21c(cccc1)NC(=O)C(=N2)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15) |
| InChIKey | InChI | 1.03 | NOGLKXWLUDJZDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C1=Nc2ccccc2NC1=O |
| SMILES | CACTVS | 3.385 | FC(F)(F)C1=Nc2ccccc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)NC(=O)C(=N2)C(F)(F)F |
