1,2-dibromo-1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane

• ChemBase编号: 99283
• 分子式: C7Br2F14
• 平均质量: 509.8605448
• 单一同位素质量: 507.81431908
• SMILES: FC(C(F)(C(F)(F)C(F)(F)C(F)(F)C(C(Br)(F)F)(Br)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(Br)(F)F)(Br)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7Br2F14/c8-1(10,6(9,19)20)2(11,12)3(13,14)4(15,16)5(17,18)7(21,22)23
• InChIKey: HSLSYHFNCGWUKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dibromo-1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane
• IUPAC传统名: 1,2-dibromo-1,1,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane
• 别名: 1,2-Dibromoperfluoroheptane

登记号

• MDL号: MFCD03094409
• PubChem SID: 162085564
• PubChem CID: 2778912

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.435547
• LogD (pH = 7.4): 6.435547
• Log P: 6.435547
• 摩尔折射率: 51.5876 cm^3
• 极化性: 20.527338 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant