1,1,1,2,4,4,5,5,5-nonafluoropent-2-ene

• ChemBase编号: 98590
• 分子式: C5HF9
• 平均质量: 232.0470688
• 单一同位素质量: 231.99345401
• SMILES: FC(/C=C(/C(F)(F)F)\F)(C(F)(F)F)F
• Canonical SMILES: F/C(=C\C(C(F)(F)F)(F)F)/C(F)(F)F
• InChI: InChI=1S/C5HF9/c6-2(4(9,10)11)1-3(7,8)5(12,13)14/h1H
• InChIKey: DAFSRGHZDWBZKC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,4,4,5,5,5-nonafluoropent-2-ene
• IUPAC传统名: 1,1,1,2,4,4,5,5,5-nonafluoropent-2-ene
• 别名: 1,1,1,2,4,4,5,5,5-Nonafluoropent-2-ene; 1429myz; 3H-Perfluoro(pent-2-ene) 97+%

登记号

• PubChem SID: 162105143
• PubChem CID: 12951075

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.0849962
• LogD (pH = 7.4): 3.0849962
• Log P: 3.0849962
• 摩尔折射率: 27.9836 cm^3
• 极化性: 9.731322 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Flammable/Irritant

详细说明

Apollo Scientific Ltd - PC5844

Mixture of cis/trans isomers