2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride

• ChemBase编号: 95411
• 分子式: C7HF13O
• 平均质量: 348.0614816
• 单一同位素质量: 347.98198151
• SMILES: FC(=O)C(F)(C(F)(F)C(F)(C(F)(F)C(C(F)F)(F)F)F)F
• Canonical SMILES: FC(C(C(C(C(C(C(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7HF13O/c8-1(9)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(10)21/h1H
• InChIKey: ZEZLMEWVHJPIDP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride
• 别名: 7H-Perfluoroheptanoyl fluoride 97%

登记号

• CAS号: 5927-65-1
• MDL号: MFCD00155774
• PubChem SID: 162082060
• PubChem CID: 2776134

理论计算性质

• Acid pKa: 19.786774
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.1691766
• LogD (pH = 7.4): 4.1691766
• Log P: 4.1691766
• 摩尔折射率: 35.3277 cm^3
• 极化性: 14.138569 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 91°C/630mm

安全信息

• 保存注意事项: Corrosive