2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-ol

• ChemBase编号: 99366
• 分子式: C6H4F10O
• 平均质量: 282.079392
• 单一同位素质量: 282.01024695
• SMILES: OCC(C(F)(C(C(F)(F)C(F)F)(F)F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H4F10O/c7-2(8)4(11,12)6(15,16)5(13,14)3(9,10)1-17/h2,17H,1H2
• InChIKey: DYJNIUWJUXNOOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-ol
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-ol
• 别名: 1H,1H,6H-Decafluorohexan-1-ol

登记号

• MDL号: MFCD01025150
• PubChem SID: 162085634
• PubChem CID: 2736748

理论计算性质

• Acid pKa: 12.621079
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.7503295
• LogD (pH = 7.4): 2.7503269
• Log P: 2.7503295
• 摩尔折射率: 31.4937 cm^3
• 极化性: 12.49312 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant