7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-5-ene

• ChemBase编号: 94651
• 分子式: C12H11F13
• 平均质量: 402.1949816
• 单一同位素质量: 402.06531721
• SMILES: FC(F)(F)C(F)(F)C(C(C(F)(C(/C=C/CCCC)(F)F)F)(F)F)(F)F
• Canonical SMILES: CCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H11F13/c1-2-3-4-5-6-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5-6H,2-4H2,1H3
• InChIKey: MROPLCIMSIZRIC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-5-ene
• IUPAC传统名: 7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-5-ene
• 别名: 1-(Perfluorohexyl)hex-1-ene 97%

登记号

• MDL号: MFCD00156010
• PubChem SID: 162081305
• PubChem CID: 5708684

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.0814257
• LogD (pH = 7.4): 7.0814257
• Log P: 7.0814257
• 摩尔折射率: 59.3983 cm^3
• 极化性: 21.641314 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant