(4-chlorophenyl)[4-(trifluoromethyl)phenyl]methanone

• ChemBase编号: 246487
• 分子式: C14H8ClF3O
• 平均质量: 284.6609296
• 单一同位素质量: 284.02157722
• SMILES: C(c1ccc(C(=O)c2ccc(cc2)Cl)cc1)(F)(F)F
• Canonical SMILES: Clc1ccc(cc1)C(=O)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C14H8ClF3O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8H
• InChIKey: RHOAOVIKZMOITD-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD00156808
• PubChem SID: 164302397
• PubChem CID: 587432

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.914492
• LogD (pH = 7.4): 4.914492
• Log P: 4.914492
• 摩尔折射率: 67.412 cm^3
• 极化性: 24.93443 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 4.935

产品相关信息

• 纯度: 95%