1-{1,1,2,2-tetrafluoro-2-[3-(trifluoromethyl)phenyl]ethyl}-3-(trifluoromethyl)benzene

• ChemBase编号: 99612
• 分子式: C16H8F10
• 平均质量: 390.218752
• 单一同位素质量: 390.04663246
• SMILES: FC(c1cccc(c1)C(C(c1cc(ccc1)C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(c1cccc(c1)C(F)(F)F)(F)F)(c1cccc(c1)C(F)(F)F)F
• InChI: InChI=1S/C16H8F10/c17-13(18,9-3-1-5-11(7-9)15(21,22)23)14(19,20)10-4-2-6-12(8-10)16(24,25)26/h1-8H
• InChIKey: FZXKHINLRQLJNU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{1,1,2,2-tetrafluoro-2-[3-(trifluoromethyl)phenyl]ethyl}-3-(trifluoromethyl)benzene
• IUPAC传统名: 1-{1,1,2,2-tetrafluoro-2-[3-(trifluoromethyl)phenyl]ethyl}-3-(trifluoromethyl)benzene
• 别名: 1,1'-(1,1,2,2-Tetrafluoroethane-1,2-diyl)bis[3-(trifluoromethyl)benzene]; 1,2-Bis[3-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethane 97%

登记号

• CAS号: 287172-67-2
• MDL号: MFCD01631640
• PubChem SID: 162085875
• PubChem CID: 2773237

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.7774534
• LogD (pH = 7.4): 6.7774534
• Log P: 6.7774534
• 摩尔折射率: 72.4776 cm^3
• 极化性: 25.675611 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 82-83°C

安全信息

• 保存注意事项: Irritant