undecafluorocyclohexane-1-carbonyl bromide

• ChemBase编号: 93550
• 分子式: C7BrF11O
• 平均质量: 388.9607352
• 单一同位素质量: 387.89568704
• SMILES: FC1(C(F)(C(F)(F)C(C(C1(F)F)(F)C(=O)Br)(F)F)F)F
• Canonical SMILES: BrC(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C7BrF11O/c8-1(20)2(9)3(10,11)5(14,15)7(18,19)6(16,17)4(2,12)13
• InChIKey: IMCJGMVADKNDTL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: undecafluorocyclohexane-1-carbonyl bromide
• IUPAC传统名: undecafluorocyclohexane-1-carbonyl bromide
• 别名: Perfluorocyclohexanecarbonyl bromide

登记号

• MDL号: MFCD00156085
• PubChem SID: 162080235
• PubChem CID: 2782562

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.1534834
• LogD (pH = 7.4): 4.1534834
• Log P: 4.1534834
• 摩尔折射率: 40.1922 cm^3
• 极化性: 16.500694 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant