1-chloro-4-{2-[4-chloro-3-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethyl}-2-(trifluoromethyl)benzene

• ChemBase编号: 94687
• 分子式: C16H6Cl2F10
• 平均质量: 459.108872
• 单一同位素质量: 457.96868775
• SMILES: Clc1ccc(cc1C(F)(F)F)C(C(c1cc(c(cc1)Cl)C(F)(F)F)(F)F)(F)F
• Canonical SMILES: Clc1ccc(cc1C(F)(F)F)C(C(c1ccc(c(c1)C(F)(F)F)Cl)(F)F)(F)F
• InChI: InChI=1S/C16H6Cl2F10/c17-11-3-1-7(5-9(11)15(23,24)25)13(19,20)14(21,22)8-2-4-12(18)10(6-8)16(26,27)28/h1-6H
• InChIKey: GMAYEXCRHRVTTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-4-{2-[4-chloro-3-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethyl}-2-(trifluoromethyl)benzene
• IUPAC传统名: 1-chloro-4-{2-[4-chloro-3-(trifluoromethyl)phenyl]-1,1,2,2-tetrafluoroethyl}-2-(trifluoromethyl)benzene
• 别名: 1,2-Bis-[4-chloro-3-(trifluoromethyl)phenyl]tetrafluoroethane 98%

登记号

• MDL号: MFCD04972680
• PubChem SID: 162081341
• PubChem CID: 12084321

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.985543
• LogD (pH = 7.4): 7.985543
• Log P: 7.985543
• 摩尔折射率: 82.0872 cm^3
• 极化性: 29.736729 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

安全信息

• 保存注意事项: Irritant