methyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

• ChemBase编号: 6437
• 分子式: C7H3F11O3
• 平均质量: 344.0793552
• 单一同位素质量: 343.99065438
• SMILES: O=C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)OC
• Canonical SMILES: COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H3F11O3/c1-20-2(19)3(8,5(11,12)13)21-7(17,18)4(9,10)6(14,15)16/h1H3
• InChIKey: DSKGYKJXZRFRDP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
• IUPAC传统名: methyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
• 别名: Methyl perfluoro(2-methyl-3-oxahexanoate) 97%; Perfluoro(2-methyl-3-oxahexanoic acid) methyl ester; Methyl 2,3,3,3-tetrafluoro-2-(perfluoropropoxy)propanoate

登记号

• CAS号: 13140-34-6
• MDL号: MFCD00042358
• PubChem SID: 160969744
• PubChem CID: 139392

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.142193
• LogD (pH = 7.4): 4.142193
• Log P: 4.142193
• 摩尔折射率: 39.9063 cm^3
• 极化性: 15.462409 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 115-117°C
• 闪点: none°C

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%