1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)-4-iodooctane

• ChemBase编号: 94335
• 分子式: C11H12F11IO
• 平均质量: 496.0992852
• 单一同位素质量: 495.97572342
• SMILES: O(C(F)(C(F)(F)C(F)(F)F)F)C(C(F)(F)F)(CC(CCCC)I)F
• Canonical SMILES: CCCCC(CC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)I
• InChI: InChI=1S/C11H12F11IO/c1-2-3-4-6(23)5-7(12,9(15,16)17)24-11(21,22)8(13,14)10(18,19)20/h6H,2-5H2,1H3
• InChIKey: JQEZOODFYSEAMT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)-4-iodooctane
• IUPAC传统名: 1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)-4-iodooctane
• 别名: 1,1,1,2-Tetrafluoro-2-(heptafluoropropoxy)-4-iodooctane 97%

登记号

• MDL号: MFCD00155935
• PubChem SID: 162080989
• PubChem CID: 2776681

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.48896
• LogD (pH = 7.4): 7.48896
• Log P: 7.48896
• 摩尔折射率: 69.1237 cm^3
• 极化性: 26.446802 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant