2-ethenyl-1-fluoro-4-(trifluoromethyl)benzene

• ChemBase编号: 97628
• 分子式: C9H6F4
• 平均质量: 190.1375528
• 单一同位素质量: 190.04056307
• SMILES: FC(c1cc(c(cc1)F)C=C)(F)F
• Canonical SMILES: C=Cc1cc(ccc1F)C(F)(F)F
• InChI: InChI=1S/C9H6F4/c1-2-6-5-7(9(11,12)13)3-4-8(6)10/h2-5H,1H2
• InChIKey: GOJAEEVORJLQKK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethenyl-1-fluoro-4-(trifluoromethyl)benzene
• IUPAC传统名: 2-ethenyl-1-fluoro-4-(trifluoromethyl)benzene
• 别名: 4-Fluoro-3-vinylbenzotrifluoride; 2-Ethenyl-1-fluoro-4-(trifluoromethyl)benzene; 2-Fluoro-5-(trifluoromethyl)styrene

登记号

• PubChem SID: 162104962
• PubChem CID: 20762172

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.7304983
• LogD (pH = 7.4): 3.7304983
• Log P: 3.7304983
• 摩尔折射率: 41.9344 cm^3
• 极化性: 14.749343 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Flammable/Irritant/Keep Cold/Store under Argon/Light Sensitive

详细说明

Apollo Scientific Ltd - PC48408

Stabilised with 4-tert-butylcatechol