1,2-dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

• ChemBase编号: 98141
• 分子式: C8HBr2F13
• 平均质量: 503.8807816
• 单一同位素质量: 501.82374089
• SMILES: FC(F)(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(=C/Br)/Br)F)F
• Canonical SMILES: Br/C=C(/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\Br
• InChI: InChI=1S/C8HBr2F13/c9-1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H
• InChIKey: YCJFSPFBPAMUCR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• IUPAC传统名: 1,2-dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• 别名: 1,2-Dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene; 1,2-Dibromo-1-(perfluorohex-1-yl)ethylene; 1,2-Dibromo-1H-tridecafluorooct-1-ene

登记号

• CAS号: 59665-28-0
• PubChem SID: 162084602
• PubChem CID: 23236469

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.244461
• LogD (pH = 7.4): 6.244461
• Log P: 6.244461
• 摩尔折射率: 55.0756 cm^3
• 极化性: 21.67051 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: Harmful/Irritant/Light Sensitive

详细说明

Apollo Scientific Ltd - PC51067

Mixture of E/Z isomers