1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane

• ChemBase编号: 100104
• 分子式: C11H4F19IO
• 平均质量: 640.0229908
• 单一同位素质量: 639.90034893
• SMILES: ICCC(C(C(F)(F)C(C(F)(F)C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(C(C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H4F19IO/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)11(29,30)32-8(22,9(23,24)25)10(26,27)28/h1-2H2
• InChIKey: GGAZEYOGKLDXNZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-[(heptafluoropropan-2-yl)oxy]-8-iodooctane
• 别名: 8-(Heptafluoroisopropoxy)-1-iodo-1H,1H,2H,2H-perfluorooctane; 1H,1H,2H,2H-Perfluoro(10,10-dimethyl-1-iodo-9-oxa)decane

登记号

• CAS号: 25080-25-5
• PubChem SID: 162086262
• PubChem CID: 45075723

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.567074
• LogD (pH = 7.4): 8.567074
• Log P: 8.567074
• 摩尔折射率: 69.6017 cm^3
• 极化性: 27.478775 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant