4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol

• ChemBase编号: 10337
• 分子式: C11H5F17O
• 平均质量: 476.1296544
• 单一同位素质量: 476.00689452
• SMILES: C(C(C(C(C(C(C(C(/C=C/CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: OC/C=C/C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H5F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2,29H,3H2/b2-1+
• InChIKey: SZUDACTYWYPFLY-OWOJBTEDSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol; (2E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
• IUPAC传统名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol; (2E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
• 别名: 1H,1H,2H,3H-Perfluorodec-2-en-1-ol; 3-(Perfluorooctyl)prop-2-en-1-ol 98%; 3-(Perfluorooctyl)prop-2-enol

登记号

• CAS号: 2340-84-3
• MDL号: MFCD00042361
• PubChem SID: 160973644
• PubChem CID: 5708699

理论计算性质

• Acid pKa: 15.609708
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.8682337
• LogD (pH = 7.4): 5.8682337
• Log P: 5.8682337
• 摩尔折射率: 56.706 cm^3
• 极化性: 21.318836 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 82-85°C/8mm
• 密度: 1.718
• 折射率: 1.33; 1.330

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 98%