1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
1-(1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Also Known As: NCGC00020907-01|NCGC00020907-02|{[1,1-bis(trifluoromethyl)propyl]amino}-N-(1,2,4-triazol-4-yl)carboxamide|1-(1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea|1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea|1-(4H-1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
| Molecular Formula | C8H9F6N5O |
|---|---|
| Molecular Weight | 305.07114 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.07114 |
| Monoisotopic Mass | 305.07114 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 301320-25-2 |
|---|---|
| SMILES | CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NN1C=NN=C1 |
| InChIKey | XZDJLQPOYUSHRN-UHFFFAOYSA-N |
Product Overview
1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea (CAS 301320-25-2), with molecular formula C8H9F6N5O and molecular weight 305.07114 g/mol. IUPAC: 1-(1,2,4-triazol-4-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea.
1-(4H-1,2,4-triazol-4-yl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea is a custom synthesis product. We offer services from milligram to kilogram scale.
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