2-[2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptyl]oxirane

• ChemBase编号: 9005
• 分子式: C10H5F15O
• 平均质量: 426.122148
• 单一同位素质量: 426.01008808
• SMILES: C(C(C(C(C(CC1OC1)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(CC1CO1)F
• InChI: InChI=1S/C10H5F15O/c11-4(12,1-3-2-26-3)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3H,1-2H2
• InChIKey: NSHDLZDDSBGOKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptyl]oxirane
• IUPAC传统名: 2-[2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptyl]oxirane
• 别名: 3-(Perfluoro-5-methylhexyl)-1,2-propenoxide; 1H,1H,2H,3H,3H-Perfluoro-(1,2-epoxy-8-methylnonane); 3-(Perfluoro-5-methylhexyl)-1,2-propenoxide 97%

登记号

• CAS号: 24564-77-0
• MDL号: MFCD00236088
• PubChem SID: 160972312
• PubChem CID: 2776230

理论计算性质

• LogD (pH = 7.4): 5.1803837
• Log P: 5.1803837
• 摩尔折射率: 48.8977 cm^3
• 极化性: 19.135687 Å^3
• 极化表面积: 12.53 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.1803837

分子性质

理化性质

• 密度: 1.706
• 折射率: 1.324

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%