1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

• ChemBase编号: 100591
• 分子式: C6Cl2F12
• 平均质量: 370.9510384
• 单一同位素质量: 369.918544
• SMILES: ClC(C(C(C(F)(F)C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(Cl)(F)F)(F)F)(C(C(C(Cl)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
• InChIKey: SNCGKZWVZZPGDQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
• IUPAC传统名: 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
• 别名: 1,6-Dichloroperfluorohexane

登记号

• CAS号: 355-40-8
• MDL号: MFCD00155741
• PubChem SID: 162087342
• PubChem CID: 2736851

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.2976613
• LogD (pH = 7.4): 5.2976613
• Log P: 5.2976613
• 摩尔折射率: 41.2108 cm^3
• 极化性: 15.955054 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 113-114°C

安全信息

• 保存注意事项: Irritant