7,7,8,8,9,9,10,10,10-nonafluorodecan-1-ol

• ChemBase编号: 99984
• 分子式: C10H13F9O
• 平均质量: 320.1952488
• 单一同位素质量: 320.08226902
• SMILES: OCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H13F9O/c11-7(12,5-3-1-2-4-6-20)8(13,14)9(15,16)10(17,18)19/h20H,1-6H2
• InChIKey: QZDCHCYMFXJOCS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7,7,8,8,9,9,10,10,10-nonafluorodecan-1-ol
• IUPAC传统名: 7,7,8,8,9,9,10,10,10-nonafluorodecan-1-ol
• 别名: 7,7,8,8,9,9,10,10,10-Nonafluorodecan-1-ol; 6-(Nonafluorobutyl)hexanol

登记号

• MDL号: MFCD00153219
• PubChem SID: 162086230
• PubChem CID: 2775809

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.220774
• LogD (pH = 7.4): 4.220774
• Log P: 4.220774
• 摩尔折射率: 51.1388 cm^3
• 极化性: 18.971684 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: 1.378
• 折射率: 1.36

安全信息

• 保存注意事项: Flammable