(2,2-difluoroethyl)triethylazanium trifluoromethanesulfonate

• ChemBase编号: 12140
• 分子式: C9H18F5NO3S
• 平均质量: 315.301136
• 单一同位素质量: 315.09275554
• SMILES: S(=O)(=O)([O-])C(F)(F)F.C([N+](CC)(CC)CC)C(F)F
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.CC[N+](CC(F)F)(CC)CC
• InChI: InChI=1S/C8H18F2N.CHF3O3S/c1-4-11(5-2,6-3)7-8(9)10;2-1(3,4)8(5,6)7/h8H,4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
• InChIKey: QIUBCQLYIWMRNK-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2,2-difluoroethyl)triethylazanium trifluoromethanesulfonate
• IUPAC传统名: (2,2-difluoroethyl)triethylazanium triflate
• 别名: 2,2-Difluoroethyltriethylammonium trifluoromethanesulfonate; 2,2-Difluoroethyl triethylammonium trifluoromethanesulphonate; 2,2-Difluoroethyltriethylammonium trifluoromethanesulphonate

登记号

• MDL号: MFCD04038360
• PubChem SID: 160975447
• PubChem CID: 44717488

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.4354076
• LogD (pH = 7.4): -2.4354076
• Log P: -2.4354076
• 摩尔折射率: 54.7079 cm^3
• 极化性: 16.375546 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false