(1,2,2,3,3,4-hexafluoro-4-phenylcyclobutyl)benzene

• ChemBase编号: 94816
• 分子式: C16H10F6
• 平均质量: 316.2410192
• 单一同位素质量: 316.06866964
• SMILES: FC1(c2ccccc2)C(F)(F)C(C1(c1ccccc1)F)(F)F
• Canonical SMILES: FC1(c2ccccc2)C(F)(F)C(C1(F)c1ccccc1)(F)F
• InChI: InChI=1S/C16H10F6/c17-13(11-7-3-1-4-8-11)14(18,12-9-5-2-6-10-12)16(21,22)15(13,19)20/h1-10H
• InChIKey: LQSQCBMUGJZDHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1,2,2,3,3,4-hexafluoro-4-phenylcyclobutyl)benzene
• IUPAC传统名: (1,2,2,3,3,4-hexafluoro-4-phenylcyclobutyl)benzene
• 别名: Hexafluoro-1,2-diphenylcyclobutane

登记号

• MDL号: MFCD01320745
• PubChem SID: 162081470
• PubChem CID: 2774986

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.2192826
• LogD (pH = 7.4): 5.2192826
• Log P: 5.2192826
• 摩尔折射率: 66.8812 cm^3
• 极化性: 25.173637 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant