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

• ChemBase编号: 99241
• 分子式: C7H4F11IO
• 平均质量: 439.9929652
• 单一同位素质量: 439.91312317
• SMILES: O(C(F)(C(F)(F)C(F)(F)F)F)C(F)(C(F)(F)F)CCI
• Canonical SMILES: ICCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H4F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H2
• InChIKey: HJDWQDVEEKHDLR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD00155933
• PubChem SID: 162085527
• PubChem CID: 2776680

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.764503
• LogD (pH = 7.4): 5.764503
• Log P: 5.764503
• 摩尔折射率: 50.9297 cm^3
• 极化性: 19.857136 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant