4-{1,1,1,3,3,3-hexafluoro-2-[4-(prop-2-enoyloxy)phenyl]propan-2-yl}phenyl prop-2-enoate

• ChemBase编号: 93106
• 分子式: C21H14F6O4
• 平均质量: 444.3238792
• 单一同位素质量: 444.07962825
• SMILES: FC(C(c1ccc(cc1)OC(=O)C=C)(c1ccc(cc1)OC(=O)C=C)C(F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)Oc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)OC(=O)C=C
• InChI: InChI=1S/C21H14F6O4/c1-3-17(28)30-15-9-5-13(6-10-15)19(20(22,23)24,21(25,26)27)14-7-11-16(12-8-14)31-18(29)4-2/h3-12H,1-2H2
• InChIKey: SZTUJDINRYGMRV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{1,1,1,3,3,3-hexafluoro-2-[4-(prop-2-enoyloxy)phenyl]propan-2-yl}phenyl prop-2-enoate
• IUPAC传统名: 4-{1,1,1,3,3,3-hexafluoro-2-[4-(prop-2-enoyloxy)phenyl]propan-2-yl}phenyl prop-2-enoate
• 别名: 4,4'-(Hexafluoroisopropylidene)diphenyl diacrylate

登记号

• MDL号: MFCD00080523
• PubChem SID: 162079791
• PubChem CID: 2775004

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.5747347
• LogD (pH = 7.4): 6.5747347
• Log P: 6.5747347
• 摩尔折射率: 108.7385 cm^3
• 极化性: 36.17613 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant