1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane

• ChemBase编号: 11993
• 分子式: C5H2F9I
• 平均质量: 359.9594788
• 单一同位素质量: 359.90575204
• SMILES: C(I)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H2F9I/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H2
• InChIKey: HFCSJMGXADMMTI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
• 别名: 1-Iodo-1H,1H-nonafluoropentane; 1H,1H-Perfluoropentyl iodide; 1-Iodo-1H,1H-nonafluoropentane; 1-Iodo-1H,1H-perfluoropentane

登记号

• CAS号: 2253-14-7
• MDL号: MFCD00233025
• PubChem SID: 160975300
• PubChem CID: 3696548

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.124203
• LogD (pH = 7.4): 4.124203
• Log P: 4.124203
• 摩尔折射率: 39.263 cm^3
• 极化性: 15.509206 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: true

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%