A1H9L
Summary
| Name: | difluorocholine |
| Synonyms: | 2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE 2-DEOXY-2-FLUORO-ALPHA-D-MANNOSYL FLUORIDE; 2-deoxy-2-fluoro-beta-D-mannosyl fluoride; 2-deoxy-2-fluoro-D-mannosyl fluoride; 2-deoxy-2-fluoro-mannosyl fluoride |
| Formula: | C5 H12 F2 N |
| Formal charge: | 1 |
| Formula weight: | 124.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-fluoranylethyl-(fluoranylmethyl)-dimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H12F2N/c1-8(2,5-7)4-3-6/h3-5H2,1-2H3/q+1 |
| InChIKey | InChI | 1.06 | YOGYDOVCYPFAGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(CF)CCF |
| SMILES | CACTVS | 3.385 | C[N+](C)(CF)CCF |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(CCF)CF |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(CCF)CF |
