3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene

• ChemBase编号: 97594
• 分子式: C6H2F9I
• 平均质量: 371.9701788
• 单一同位素质量: 371.90575204
• SMILES: I/C=C/C(C(F)(F)C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: I/C=C/C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6H2F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H
• InChIKey: JLNNSBACHLCUOY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene
• IUPAC传统名: 3,4,4,5,5,5-hexafluoro-1-iodo-3-(trifluoromethyl)pent-1-ene
• 别名: 3,4,4,5,5,5-Hexafluoro-3-(trifluoromethyl)iodopent-1-ene 97%

登记号

• MDL号: MFCD09998171
• PubChem SID: 162084191
• PubChem CID: 5379545

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.263528
• LogD (pH = 7.4): 4.263528
• Log P: 4.263528
• 摩尔折射率: 44.3126 cm^3
• 极化性: 16.886196 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

理化性质

• 沸点: 118-119°C

安全信息

• 保存注意事项: Irritant