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

• ChemBase编号: 100269
• 分子式: C6H8F8N2
• 平均质量: 260.1283456
• 单一同位素质量: 260.05597403
• SMILES: NCC(F)(F)C(F)(F)C(C(CN)(F)F)(F)F
• Canonical SMILES: NCC(C(C(C(CN)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H8F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2,15-16H2
• InChIKey: SQYCOUFPSXBQSO-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
• IUPAC传统名: 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
• 别名: 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexamethylenediamine

登记号

• MDL号: MFCD04039301
• PubChem SID: 162087793
• PubChem CID: 2779375

理论计算性质

• 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
• 质子受体: 2