tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl

• ChemBase编号: 93117
• 分子式: C24H12F39Sn
• 平均质量: 1159.9908048
• 单一同位素质量: 1160.93381996
• SMILES: FC(F)(F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[Sn](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/3C8H4F13.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h3*1-2H2
• InChIKey: XWZMMYXGLVKSEL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl
• IUPAC传统名: tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannyl
• 别名: PTFH; Curran-Hadida reagent; Tris(1H,1H,2H,2H-perfluorooctyl)tin hydride

登记号

• MDL号: MFCD00800579
• PubChem SID: 162079802
• PubChem CID: 9963554

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 16.0753
• LogD (pH = 7.4): 16.0753
• Log P: 16.0753
• 摩尔折射率: 116.5206 cm^3
• 极化性: 50.592617 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 24
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - PC0208

S.Hadida, J.Amer.Chem.Soc., 118, 2531 (1996)