[2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone

• ChemBase编号: 96486
• 分子式: C15H8F6O3
• 平均质量: 350.2126392
• 单一同位素质量: 350.03776344
• SMILES: O(c1c(cccc1)C(=O)c1ccc(cc1)OC(F)(F)F)C(F)(F)F
• Canonical SMILES: O=C(c1ccccc1OC(F)(F)F)c1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C15H8F6O3/c16-14(17,18)23-10-7-5-9(6-8-10)13(22)11-3-1-2-4-12(11)24-15(19,20)21/h1-8H
• InChIKey: FAVOOMHIXPIGGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone
• IUPAC传统名: [2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone
• 别名: [2-(trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone

登记号

• MDL号: MFCD01764745
• PubChem SID: 162083135
• PubChem CID: 2781587

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.294822
• LogD (pH = 7.4): 6.294822
• Log P: 6.294822
• 摩尔折射率: 62.7741 cm^3
• 极化性: 25.998556 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false