HuagongsheHuagongshe Chemistry Print Report · For research reference only
alpha-(Trifluoromethyl)-p-isobutylphenylacetic acid
Identifiers & Physical Properties
| Molecular formula | C13H15F3O2 |
|---|---|
| Average molar mass | 260.25 g/mol |
| Monoisotopic mass | 260.1024142 g/mol |
| SMILES | CC(C)Cc1ccc(C(C(=O)O)C(F)(F)F)cc1 |
| InChIKey | CCKIDRSJQLPCIZ-UHFFFAOYSA-N |
| PubChem CID | 13028362 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 278 |