2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane

• ChemBase编号: 98690
• 分子式: C13H5F21O
• 平均质量: 576.1446672
• 单一同位素质量: 576.0005074
• SMILES: O1CC1CC(C(C(F)(F)C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(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)(F)F)(CC1CO1)F
• InChI: InChI=1S/C13H5F21O/c14-4(15,1-3-2-35-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3H,1-2H2
• InChIKey: KVLHRMQNRDJRKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane
• IUPAC传统名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane
• 别名: 1H,2H,3H,3H-Perfluoro-1,2-epoxytridecane; 3-(Perfluoro-n-decyl)-1,2-propenoxide 97%

登记号

• CAS号: 38565-54-7
• MDL号: MFCD00236086
• PubChem SID: 162085075
• PubChem CID: 2776077

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.5439754
• LogD (pH = 7.4): 7.5439754
• Log P: 7.5439754
• 摩尔折射率: 62.6276 cm^3
• 极化性: 24.865456 Å^3
• 极化表面积: 12.53 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 61-62°C
• 沸点: 112°C/15mm

安全信息

• 保存注意事项: Irritant