5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodeca-1,3-diene

• ChemBase编号: 94341
• 分子式: C10H5F13
• 平均质量: 372.1259416
• 单一同位素质量: 372.01836702
• SMILES: FC(F)(F)C(F)(F)C(C(F)(C(F)(F)C(/C=C/C=C)(F)F)F)(F)F
• Canonical SMILES: C=C/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F13/c1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H,1H2
• InChIKey: HALRAMNRSBXAOM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodeca-1,3-diene
• IUPAC传统名: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodeca-1,3-diene
• 别名: 1H,1H,2H,3H,4H-Perfluorodeca-1,3-diene 97%

登记号

• MDL号: MFCD00156009
• PubChem SID: 162080995
• PubChem CID: 5708682

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.8883004
• LogD (pH = 7.4): 5.8883004
• Log P: 5.8883004
• 摩尔折射率: 50.2404 cm^3
• 极化性: 18.091433 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant