(4-chlorophenyl)(pentafluoroethyl)iodanium; tetrafluoroboranuide

• ChemBase编号: 281722
• 分子式: C8H4BClF9I
• 平均质量: 444.2714588
• 单一同位素质量: 443.89956019
• SMILES: C(C(F)(F)F)([I+]c1ccc(Cl)cc1)(F)F.[B-](F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)([I+]c1ccc(cc1)Cl)F.F[B-](F)(F)F
• InChI: InChI=1S/C8H4ClF5I.BF4/c9-5-1-3-6(4-2-5)15-8(13,14)7(10,11)12;2-1(3,4)5/h1-4H;/q+1;-1
• InChIKey: ODILJTXDBCKZFP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-chlorophenyl)(pentafluoroethyl)iodanium; tetrafluoroboranuide
• IUPAC传统名: (4-chlorophenyl)(pentafluoroethyl)iodanium tetrafluoroborate
• 别名: (4-chlorophenyl)(1,1,2,2,2-pentafluoroethyl)iodanium; tetrafluoroboranuide

登记号

• MDL号: MFCD14705925
• PubChem SID: 180667253
• PubChem CID: 47003476

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.3538
• LogD (pH = 7.4): 4.3538
• Log P: 4.3538
• 摩尔折射率: 56.123 cm^3
• 极化性: 23.709078 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 3.643

产品相关信息

• 纯度: 95%