2,2,3-trifluoro-3,4,4-tris(trifluoromethyl)oxetane

• ChemBase编号: 97403
• 分子式: C6F12O
• 平均质量: 316.0444384
• 单一同位素质量: 315.97575326
• SMILES: FC1(OC(C1(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F)F
• Canonical SMILES: FC(C1(F)C(F)(F)OC1(C(F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C6F12O/c7-1(3(8,9)10)2(4(11,12)13,5(14,15)16)19-6(1,17)18
• InChIKey: DKJVCYZVJXDTKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3-trifluoro-3,4,4-tris(trifluoromethyl)oxetane
• IUPAC传统名: 2,2,3-trifluoro-3,4,4-tris(trifluoromethyl)oxetane
• 别名: 2,2,x-Tris(trifluoromethyl)trifluorooxetane

登记号

• PubChem SID: 162104950
• PubChem CID: 2782439

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.8345132
• LogD (pH = 7.4): 3.8345132
• Log P: 3.8345132
• 摩尔折射率: 31.6787 cm^3
• 极化性: 12.343513 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 51°C
• 闪点: none°C

安全信息

• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - PC4471

Aproximately 50:50 mixture of isomers where x = 3 & 4. Approximately 50:50 mixture of isomers, x=3,4