1,1,2,2,3,3,4,4-octafluoro-5-(prop-2-en-1-yloxy)pentane

• ChemBase编号: 11806
• 分子式: C8H8F8O
• 平均质量: 272.1357456
• 单一同位素质量: 272.04474064
• SMILES: O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)CC=C
• Canonical SMILES: C=CCOCC(C(C(C(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H8F8O/c1-2-3-17-4-6(11,12)8(15,16)7(13,14)5(9)10/h2,5H,1,3-4H2
• InChIKey: HIXXYZPZBSOJHD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4-octafluoro-5-(prop-2-en-1-yloxy)pentane
• IUPAC传统名: 1,1,2,2,3,3,4,4-octafluoro-5-(prop-2-en-1-yloxy)pentane
• 别名: Allyl 2,2,3,3,4,4,5,5-octafluoropentyl ether; 2,2,3,3,4,4,5,5-Octafluoro-6-oxanon-8-ene; Allyl 2,2,3,3,4,4,5,5-octafluoropentyl ether (97% min)

登记号

• CAS号: 3108-07-4
• MDL号: MFCD00443218
• PubChem SID: 160975113
• PubChem CID: 2779378

理论计算性质

• Acid pKa: 19.789547
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4240632
• LogD (pH = 7.4): 3.4240632
• Log P: 3.4240632
• 摩尔折射率: 40.7396 cm^3
• 极化性: 15.308639 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 7
• 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%