2-chloro-3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)but-1-ene

• ChemBase编号: 97522
• 分子式: C7H2ClF11O
• 平均质量: 346.5256152
• 单一同位素质量: 345.96185278
• SMILES: O(C(C(F)(F)C(F)(F)F)(F)F)C(C(=C)Cl)(F)C(F)(F)F
• Canonical SMILES: ClC(=C)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H2ClF11O/c1-2(8)3(9,5(12,13)14)20-7(18,19)4(10,11)6(15,16)17/h1H2
• InChIKey: RHKBPIVJBGOMFL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)but-1-ene
• IUPAC传统名: 2-chloro-3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)but-1-ene
• 别名: 2-Chloro-3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)but-1-ene

登记号

• MDL号: MFCD00155708
• PubChem SID: 162084129
• PubChem CID: 2782492

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.18195
• LogD (pH = 7.4): 5.18195
• Log P: 5.18195
• 摩尔折射率: 42.7813 cm^3
• 极化性: 16.01723 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant