4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-ene

• ChemBase编号: 99338
• 分子式: C6H5F7
• 平均质量: 210.0927224
• 单一同位素质量: 210.0279477
• SMILES: FC(F)(F)C(C(F)(F)F)(F)/C=C/C
• Canonical SMILES: C/C=C/C(C(F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6H5F7/c1-2-3-4(7,5(8,9)10)6(11,12)13/h2-3H,1H3
• InChIKey: GEICRRKCIKMEFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-ene
• IUPAC传统名: 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-ene
• 别名: 4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-ene 97%

登记号

• MDL号: MFCD09998186
• PubChem SID: 162085611
• PubChem CID: 5708732

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.3841279
• LogD (pH = 7.4): 3.3841279
• Log P: 3.3841279
• 摩尔折射率: 31.8654 cm^3
• 极化性: 11.054553 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant