bis(cyclopenta-1,3-dien-1-yl)bis(pentafluorophenyl)titanium

• ChemBase编号: 99128
• 分子式: C22H10F10Ti
• 平均质量: 512.165832
• 单一同位素质量: 512.01022882
• SMILES: [Ti](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(C1=CC=CC1)C1=CC=CC1
• Canonical SMILES: Fc1c(F)c(F)c(c(c1[Ti](c1c(F)c(F)c(c(c1F)F)F)(C1=CC=CC1)C1=CC=CC1)F)F
• InChI: InChI=1S/2C6F5.2C5H5.Ti/c2*7-2-1-3(8)5(10)6(11)4(2)9;2*1-2-4-5-3-1;/h;;2*1-3H,4H2
• InChIKey: YTQNQRJGDSFLHQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(cyclopenta-1,3-dien-1-yl)bis(pentafluorophenyl)titanium
• IUPAC传统名: bis(cyclopenta-1,3-dien-1-yl)bis(pentafluorophenyl)titanium
• 别名: Bis(cyclopentadienyl)-bis(pentafluorophenyl)titanium

登记号

• PubChem SID: 162105227
• PubChem CID: 21946769

理论计算性质

• Acid pKa: 9.876299
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.862382
• LogD (pH = 7.4): 4.860959
• Log P: 4.8624
• 摩尔折射率: 102.5524 cm^3
• 极化性: 37.165485 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant