1,1,1,2,2,3,5,5,5-nonafluoropentane

• ChemBase编号: 99964
• 分子式: C5H3F9
• 平均质量: 234.0629488
• 单一同位素质量: 234.00910408
• SMILES: FC(F)(F)C(F)(C(CC(F)(F)F)F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)CC(F)(F)F
• InChI: InChI=1S/C5H3F9/c6-2(1-3(7,8)9)4(10,11)5(12,13)14/h2H,1H2
• InChIKey: ODOQEDLJVNKDMU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,5,5,5-nonafluoropentane
• IUPAC传统名: 1,1,1,2,2,3,5,5,5-nonafluoropentane
• 别名: Nonafluoropentane 85%

登记号

• MDL号: MFCD09258989
• PubChem SID: 162086210
• PubChem CID: 2775834

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1424606
• LogD (pH = 7.4): 3.1424606
• Log P: 3.1424606
• 摩尔折射率: 26.2594 cm^3
• 极化性: 9.974464 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: none°C

安全信息

• 保存注意事项: Flammable

详细说明

Apollo Scientific Ltd - PC8067

Mixture of 2H,3H,3H- and 2H,2H,3H- isomers