4,4,5,5,5-pentafluoro-2-iodopent-1-ene

• ChemBase编号: 98562
• 分子式: C5H4F5I
• 平均质量: 285.981746
• 单一同位素质量: 285.92778923
• SMILES: IC(=C)CC(C(F)(F)F)(F)F
• Canonical SMILES: IC(=C)CC(C(F)(F)F)(F)F
• InChI: InChI=1S/C5H4F5I/c1-3(11)2-4(6,7)5(8,9)10/h1-2H2
• InChIKey: UEEGHKHOKNMXKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,5-pentafluoro-2-iodopent-1-ene
• IUPAC传统名: 4,4,5,5,5-pentafluoro-2-iodopent-1-ene
• 别名: 4,4,5,5,5-Pentafluoro-2-iodopent-1-ene; 1H,1H,2H,3H,3H-Perfluoro(2-iodopent-1-ene)

登记号

• PubChem SID: 162105169
• PubChem CID: 45075661

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.3904798
• LogD (pH = 7.4): 3.3904798
• Log P: 3.3904798
• 摩尔折射率: 38.9755 cm^3
• 极化性: 14.776275 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant