1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-ene

• ChemBase编号: 100658
• 分子式: C6ClF9
• 平均质量: 278.5028288
• 单一同位素质量: 277.95448166
• SMILES: ClC1=C(C(F)(F)C(C1(F)F)(F)F)C(F)(F)F
• Canonical SMILES: ClC1=C(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C6ClF9/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11
• InChIKey: SPJMTEPSABEJSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-ene
• IUPAC传统名: 1-chloro-3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopent-1-ene
• 别名: 1-Chlorohexafluoro-2-(trifluoromethyl)cyclopent-1-ene

登记号

• MDL号: MFCD01075258
• PubChem SID: 162087418
• PubChem CID: 2736599

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.4736953
• LogD (pH = 7.4): 3.4736953
• Log P: 3.4736953
• 摩尔折射率: 34.2533 cm^3
• 极化性: 12.694104 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant