2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane

• ChemBase编号: 99038
• 分子式: C5BrF11O
• 平均质量: 364.9393352
• 单一同位素质量: 363.89568704
• SMILES: O(C(C(Br)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(F)(F)F)(C(F)(F)F)OC(C(Br)(F)F)(F)F
• InChI: InChI=1S/C5BrF11O/c6-2(8,9)5(16,17)18-1(7,3(10,11)12)4(13,14)15
• InChIKey: NNJIYASXBPPIGU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
• IUPAC传统名: 2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
• 别名: 2-(2-Bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane; Perfluoro(1-bromo-3-oxa-4-methylpentane)

登记号

• CAS号: 16005-49-5
• PubChem SID: 162085339
• PubChem CID: 45075722

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.82545
• LogD (pH = 7.4): 4.82545
• Log P: 4.82545
• 摩尔折射率: 37.3278 cm^3
• 极化性: 14.439498 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 75-66°C/760mm
• 闪点: none°C
• 折射率: 1.2850

安全信息

• 保存注意事项: Irritant