1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane

• ChemBase编号: 6501
• 分子式: C6H4F9I
• 平均质量: 373.9860588
• 单一同位素质量: 373.92140211
• SMILES: C(C(C(CCI)(C(F)(F)F)F)(F)F)(F)(F)F
• Canonical SMILES: ICCC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6H4F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H2
• InChIKey: AOJSNAHJSVDKPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane
• IUPAC传统名: 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)pentane
• 别名: 1,1,1,2,2,3-Hexafluoro-3-(trifluoromethyl)-5-iodopentane; 1,1,1,2,2,3-Hexafluoro-3-(trifluoromethyl)-5-iodopentane 97%

登记号

• MDL号: MFCD00155868
• PubChem SID: 160969808
• PubChem CID: 2775064

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.3071084
• LogD (pH = 7.4): 4.3071084
• Log P: 4.3071084
• 摩尔折射率: 44.1381 cm^3
• 极化性: 17.122389 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 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%