InChIKey | VEVZCONIUDBCDC-UHFFFAOYSA-N |
Inchi | 1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3 |
SMILES | CC(C)C(C1=CC=C(C=C1)OC(F)(F)F)(C2=CN=CN=C2)O |
精确分子量 | 312.10900 |
氢键供体数量 | 1 |
氢键受体数量 | 4 |
可旋转化学键数量 | 5 |
重原子数量 | 22 |
LogP | 3.26710 |
PSA | 55.24000 |
沸点 | 264°C (rough estimate) |
熔点 | 94-96° |
密度 | 1.2779 (estimate) |
Beilstein | 892930 |
SMILES
FC(F)(F)OC1=CC=C(C=C1)C(C(C)C)(O)C2=CN=CN=C2