9RH
Summary
| Name: | 2,2,2-trifluoromethyl acetophenone hydrate |
| Formula: | C8 H7 F3 O2 |
| Formal charge: | 0 |
| Formula weight: | 192.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2,2,2-tris(fluoranyl)-1-phenyl-ethane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7F3O2/c9-8(10,11)7(12,13)6-4-2-1-3-5-6/h1-5,12-13H |
| InChIKey | InChI | 1.03 | APDULARNYREANX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(O)(c1ccccc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(O)(c1ccccc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(F)(F)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(C(F)(F)F)(O)O |
