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| IUPAC Name: | 1,1,1-trifluoro-2-isocyanatoethane |
| Description: | 2,2,2-Trifluoroethyl Isocyanate is an intermediate used to prepare PDE5 inhibitors for erectile dysfunction. It is also used to synthesize indazolyl glucocorticoid receptor partial agonists. |
| Molecular Weight: | 125.05 |
| Molecular Formula: | C3H2F3NO |
| Canonical SMILES: | C(C(F)(F)F)N=C=O |
| InChI: | InChI=1S/C3H2F3NO/c4-3(5,6)1-7-2-8/h1H2 |
| InChI Key: | YQOWUQLKOIACGC-UHFFFAOYSA-N |
| Solubility: | Chloroform, Methanol |
| Appearance: | Clear Colourless Oil |
| Storage: | Refrigerator, under inert atmosphere |
| References: | Boyle, C., et al. Bioorg. Med. Chem. Lett., 15, 2365 (2005); Gilmore, J., et al. Bioorg. Med. Chem. Lett., 23, 5448 (2013). |
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