1,2,4,5-tetrafluoro-3-(heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene

• ChemBase编号: 100657
• 分子式: C10F14
• 平均质量: 386.0846448
• 单一同位素质量: 385.97764508
• SMILES: FC(c1c(c(c(c(c1F)F)C(F)(F)F)F)F)(C(F)(F)F)C(F)(F)F
• Canonical SMILES: Fc1c(F)c(c(c(c1C(F)(F)F)F)F)C(C(F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C10F14/c11-3-1(7(15,9(19,20)21)10(22,23)24)4(12)6(14)2(5(3)13)8(16,17)18
• InChIKey: CKGPOWZUEZFLPG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,4,5-tetrafluoro-3-(heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
• IUPAC传统名: 1,2,4,5-tetrafluoro-3-(heptafluoropropan-2-yl)-6-(trifluoromethyl)benzene
• 别名: 3-Perfluoroisopropyl-1,2,4,5-tetrafluorobenzotrifluoride; Perfluoro(4-isopropyltoluene)

登记号

• CAS号: 20017-49-6
• MDL号: MFCD00155962
• PubChem SID: 162087354
• PubChem CID: 2776193

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.4393725
• LogD (pH = 7.4): 5.4393725
• Log P: 5.4393725
• 摩尔折射率: 48.4811 cm^3
• 极化性: 17.281853 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant