O0B
Summary
| Name: | (2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal |
| Formula: | C6 H10 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 185.144 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.06 | IISHLMOFSAYIEX-IMJSIDKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CC(F)(F)F)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CC(F)(F)F)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CC(F)(F)F)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(F)(F)F)C(C(=O)O)N |
