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

• ChemBase编号: 100640
• 分子式: C7ClF13O
• 平均质量: 382.5065416
• 单一同位素质量: 381.94300916
• SMILES: FC(C(F)(C(F)(F)C(F)(F)C(C(C(=O)F)(F)F)(F)F)F)(F)Cl
• Canonical SMILES: FC(=O)C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7ClF13O/c8-7(20,21)6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(9)22
• InChIKey: JSDBFOSAQSKPPJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride
• IUPAC传统名: 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl fluoride
• 别名: 7-Chloroperfluoroheptanoyl fluoride

登记号

• CAS号: 662-63-5
• MDL号: MFCD00153753
• PubChem SID: 162087353
• PubChem CID: 2736635

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.8646235
• LogD (pH = 7.4): 4.8646235
• Log P: 4.8646235
• 摩尔折射率: 41.0522 cm^3
• 极化性: 16.084673 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: 46°C/55mm

安全信息

• 保存注意事项: Corrosive/Irritant