1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(prop-2-en-1-ylsulfanyl)decane

• ChemBase编号: 9343
• 分子式: C13H9F17S
• 平均质量: 520.2484144
• 单一同位素质量: 520.01535103
• SMILES: FC(C(C(C(C(C(C(C(CCSCC=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CCSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C13H9F17S/c1-2-4-31-5-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-5H2
• InChIKey: VBSGTAMERRWOSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(prop-2-en-1-ylsulfanyl)decane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(prop-2-en-1-ylsulfanyl)decane
• 别名: 2-(Perfluorooctyl)ethyl allyl sulfide; Allyl 2-(perfluorooctyl)ethyl sulphide; Allyl 1H,1H,2H,2H-perfluorodecyl sulphide

登记号

• CAS号: 239463-91-3
• MDL号: MFCD01862012
• PubChem SID: 160972650
• PubChem CID: 2737633

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.8771715
• LogD (pH = 7.4): 7.8771715
• Log P: 7.8771715
• 摩尔折射率: 70.7307 cm^3
• 极化性: 26.599953 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant
• TSCA收录: false