2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride

• ChemBase编号: 248152
• 分子式: C6H10Cl2F8N2
• 平均质量: 333.0502256
• 单一同位素质量: 332.00932945
• SMILES: C(C(C(F)(F)CN)(F)F)(C(F)(F)CN)(F)F.Cl.Cl
• Canonical SMILES: NCC(C(C(C(CN)(F)F)(F)F)(F)F)(F)F.Cl.Cl
• InChI: InChI=1S/C6H8F8N2.2ClH/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16;;/h1-2,15-16H2;2*1H
• InChIKey: VHSLSVMYNOESPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride
• IUPAC传统名: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride
• 别名: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine dihydrochloride

登记号

• PubChem SID: 164304062
• PubChem CID: 71758401

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.3390172
• LogD (pH = 7.4): 0.7950134
• Log P: 1.3801281
• 摩尔折射率: 36.5406 cm^3
• 极化性: 14.274433 Å^3
• 极化表面积: 52.04 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.438

产品相关信息

• 纯度: 95%