4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pent-2-ene

• ChemBase编号: 93584
• 分子式: C8H5F11O
• 平均质量: 326.1071352
• 单一同位素质量: 326.0164752
• SMILES: O(C(C(F)(C(F)(F)F)F)(F)F)C(/C=C/C)(F)C(F)(F)F
• Canonical SMILES: C/C=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H5F11O/c1-2-3-4(9,6(12,13)14)20-8(18,19)5(10,11)7(15,16)17/h2-3H,1H3
• InChIKey: RYUIEKVXZQICBY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pent-2-ene
• IUPAC传统名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pent-2-ene
• 别名: 4,5,5,5-Tetrafluoro-4-(heptafluoroprop-1-oxy)pent-2-ene

登记号

• MDL号: MFCD09998047
• PubChem SID: 162080269
• PubChem CID: 5709619

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.331822
• LogD (pH = 7.4): 5.331822
• Log P: 5.331822
• 摩尔折射率: 43.7386 cm^3
• 极化性: 15.666702 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant