1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(prop-2-en-1-yloxy)octane

• ChemBase编号: 7032
• 分子式: C11H7F15O
• 平均质量: 440.148728
• 单一同位素质量: 440.02573814
• SMILES: C(COCC=C)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CCOCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H7F15O/c1-2-3-27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3-4H2
• InChIKey: DPOFHGRLDJWXKJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(prop-2-en-1-yloxy)octane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(prop-2-en-1-yloxy)octane
• 别名: Allyl 1H,1H-perfluorooctyl ether; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-8-(prop-2-en-1-yloxy)octane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl prop-2-en-1-yl ether; Allyl 1H,1H-pentafluorooctyl ether

登记号

• CAS号: 812-72-6
• MDL号: MFCD00042149
• PubChem SID: 160970339
• PubChem CID: 2735872

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.014752
• LogD (pH = 7.4): 6.014752
• Log P: 6.014752
• 摩尔折射率: 55.6333 cm^3
• 极化性: 21.072533 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

理化性质

• 沸点: 178°C
• 密度: 1.561
• 折射率: 1.3202; 1.3222

安全信息

• 保存注意事项: Harmful/Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%