A1D8Z
Summary
| Name: | 3,5-bis(trifluoromethyl)aniline |
| Synonyms: | 3,5-Di(trifluoromethyl)aniline |
| Formula: | C8 H5 F6 N |
| Formal charge: | 0 |
| Formula weight: | 229.122 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-bis(trifluoromethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2 |
| InChIKey | InChI | 1.06 | CDIDGWDGQGVCIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1C(F)(F)F)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1C(F)(F)F)N)C(F)(F)F |
