A1CF5
Summary
| Name: | 3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one |
| Formula: | C10 H9 F3 O4 |
| Formal charge: | 0 |
| Formula weight: | 250.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 3,3,3-tris(fluoranyl)-1-(4-methoxyphenyl)-2,2-bis(oxidanyl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C10H9F3O4/c1-17-7-4-2-6(3-5-7)8(14)9(15,16)10(11,12)13/h2-5,15-16H,1H3 |
| InChIKey | InChI | 1.06 | OJRZKDIVULZAPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)C(=O)C(C(F)(F)F)(O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)C(=O)C(C(F)(F)F)(O)O |
