2O6
Summary
| Name: | 5-(trifluoromethyl)-1,2-benzoxazol-3-amine |
| Formula: | C8 H5 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 202.133 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(trifluoromethyl)-1,2-benzoxazol-3-amine |
| OpenEye OEToolkits | 1.7.6 | 5-(trifluoromethyl)-1,2-benzoxazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c2cc1c(onc1N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13) |
| InChIKey | InChI | 1.03 | LSKOZQNIAMSAIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1noc2ccc(cc12)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1noc2ccc(cc12)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(F)(F)F)c(no2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(F)(F)F)c(no2)N |
