1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(prop-2-en-1-yloxy)octane

• ChemBase编号: 97939
• 分子式: C11H9F13O
• 平均质量: 404.1678016
• 单一同位素质量: 404.04458177
• SMILES: FC(F)(F)C(F)(C(F)(C(F)(F)C(F)(F)C(F)(F)CCOCC=C)F)F
• Canonical SMILES: C=CCOCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H9F13O/c1-2-4-25-5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-5H2
• InChIKey: GPVGUNIIVWJTLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(prop-2-en-1-yloxy)octane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(prop-2-en-1-yloxy)octane
• 别名: Allyl 1H,1H,2H,2H-perfluorooctyl ether

登记号

• MDL号: MFCD00042352
• PubChem SID: 162084417
• PubChem CID: 13570053

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.584412
• LogD (pH = 7.4): 5.584412
• Log P: 5.584412
• 摩尔折射率: 55.4171 cm^3
• 极化性: 20.81702 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Flammable