54Z
Summary
| Name: | 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine |
| Formula: | C8 H7 Cl F3 N O |
| Formal charge: | 0 |
| Formula weight: | 225.595 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine |
| OpenEye OEToolkits | 1.9.2 | [3-chloranyl-4-(trifluoromethyloxy)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(Cl)cc(ccc1OC(F)(F)F)CN |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H,4,13H2 |
| InChIKey | InChI | 1.03 | OVFDZNSGNUXERC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(OC(F)(F)F)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | NCc1ccc(OC(F)(F)F)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CN)Cl)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CN)Cl)OC(F)(F)F |
