4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)-2-iodopent-2-en-1-ol

• ChemBase编号: 94628
• 分子式: C8H4F11IO2
• 平均质量: 468.0030652
• 单一同位素质量: 467.90803779
• SMILES: OC/C(=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)/I
• Canonical SMILES: OC/C(=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)/I
• InChI: InChI=1S/C8H4F11IO2/c9-4(6(12,13)14,1-3(20)2-21)22-8(18,19)5(10,11)7(15,16)17/h1,21H,2H2
• InChIKey: RNWSPHUZWGYRQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)-2-iodopent-2-en-1-ol
• IUPAC传统名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)-2-iodopent-2-en-1-ol
• 别名: 4,5,5,5-Tetrafluoro-4-(heptafluoroprop-1-oxy)-2-iodopent-2-en-1-ol

登记号

• MDL号: MFCD00155937
• PubChem SID: 162081282
• PubChem CID: 5708712

理论计算性质

• Acid pKa: 14.079191
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.612714
• LogD (pH = 7.4): 4.612714
• Log P: 4.612714
• 摩尔折射率: 58.7872 cm^3
• 极化性: 22.029598 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant