A1ENG
Summary
| Name: | 3-(trifluoromethyl)-1,4-dihydropyrazol-5-one |
| Formula: | C4 H3 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 152.075 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(trifluoromethyl)-1,4-dihydropyrazol-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(10)9-8-2/h1H2,(H,9,10) |
| InChIKey | InChI | 1.06 | PMTWALQJNWEDLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C1=NNC(=O)C1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)C1=NNC(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C(=NNC1=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(=NNC1=O)C(F)(F)F |
