1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane

• ChemBase编号: 94113
• 分子式: C9H4F15I
• 平均质量: 524.008578
• 单一同位素质量: 523.91182143
• SMILES: FC(C(C(C(F)(F)C(C(F)(F)C(F)(CCI)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H4F15I/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2H2
• InChIKey: QVTHRDRXTVTNEK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane
• 别名: 1-Iodo-2-(perfluoroheptyl)ethane; 1-Iodo-1H,1H,2H,2H-perfluorononane

登记号

• CAS号: 2043-52-9
• MDL号: MFCD07772054
• PubChem SID: 162080768
• PubChem CID: 74884

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.8810434
• LogD (pH = 7.4): 6.8810434
• Log P: 6.8810434
• 摩尔折射率: 57.4544 cm^3
• 极化性: 22.824993 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant