ZKR
Summary
| Name: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
| Formula: | C5 H4 B F3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 195.955 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
| OpenEye OEToolkits | 2.0.7 | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(s1)B(O)O |
| InChI | InChI | 1.06 | InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H |
| InChIKey | InChI | 1.06 | NHBZQJOZVBHDAZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1sc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OB(O)c1sc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1ccc(s1)C(F)(F)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1ccc(s1)C(F)(F)F)(O)O |
