(heptafluoropropyl)(phenyl)iodanium trifluoromethanesulfonate

• ChemBase编号: 8844
• 分子式: C10H5F10IO3S
• 平均质量: 522.098402
• 单一同位素质量: 521.88444522
• SMILES: c1cccc(c1)[I+]C(C(C(F)(F)F)(F)F)(F)F.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)([I+]c1ccccc1)F.FC(S(=O)(=O)[O-])(F)F
• InChI: InChI=1S/C9H5F7I.CHF3O3S/c10-7(11,8(12,13)14)9(15,16)17-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1
• InChIKey: YBVOPUOUKFHORP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (heptafluoropropyl)(phenyl)iodanium trifluoromethanesulfonate
• IUPAC传统名: (heptafluoropropyl)(phenyl)iodanium triflate
• 别名: (Perfluoro-n-propyl)phenyliodonium trifluoro-methanesulfonate

登记号

• CAS号: 77758-79-3
• MDL号: MFCD00135121
• PubChem SID: 160972151
• PubChem CID: 2760327

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.335867
• LogD (pH = 7.4): 5.335867
• Log P: 5.335867
• 摩尔折射率: 55.8532 cm^3
• 极化性: 23.41303 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

安全信息

• TSCA收录: false