N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-N'-(3-nitrophenyl)urea
Chemical Structure Depiction of
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-N'-(3-nitrophenyl)urea
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-N'-(3-nitrophenyl)urea
Compound characteristics
| Compound ID: | Y508-5580 |
| Compound Name: | N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-N'-(3-nitrophenyl)urea |
| Molecular Weight: | 345.2 |
| Molecular Formula: | C11 H9 F6 N3 O3 |
| Smiles: | CC(C(F)(F)F)(C(F)(F)F)NC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9991 |
| logD: | 2.2577 |
| logSw: | -4.2055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.718 |
| InChI Key: | WIXYFGALAXMUDU-UHFFFAOYSA-N |