2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl bromide

• ChemBase编号: 93587
• 分子式: C6BrF11O2
• 平均质量: 392.9494352
• 单一同位素质量: 391.89060166
• SMILES: O(C(C(F)(C(F)(F)F)F)(F)F)C(C(=O)Br)(F)C(F)(F)F
• Canonical SMILES: BrC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6BrF11O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
• InChIKey: VGIQWXOXDRXVKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl bromide
• IUPAC传统名: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl bromide
• 别名: Perfluoro(2-methyl-3-oxahexanoyl) bromide

登记号

• MDL号: MFCD00155945
• PubChem SID: 162080272
• PubChem CID: 2782596

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.6796813
• LogD (pH = 7.4): 4.6796813
• Log P: 4.6796813
• 摩尔折射率: 41.5946 cm^3
• 极化性: 16.335865 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive/Irritant/Moisture Sensitive