A1CFR
Summary
| Name: | (1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine |
| Formula: | C8 H14 F3 N |
| Formal charge: | 0 |
| Formula weight: | 181.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-methyl-4-(trifluoromethyl)cyclohexan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CNC1CCC(CC1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C8H14F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7- |
| InChIKey | InChI | 1.06 | QUUODNYZDCDMHQ-LJGSYFOKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H]1CC[C@@H](CC1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CN[CH]1CC[CH](CC1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CNC1CCC(CC1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CNC1CCC(CC1)C(F)(F)F |
