1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadecane

• ChemBase编号: 12086
• 分子式: C18H25F13
• 平均质量: 488.3703416
• 单一同位素质量: 488.17486766
• SMILES: C(C(F)(F)F)(C(C(C(C(CCCCCCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C18H25F13/c1-2-3-4-5-6-7-8-9-10-11-12-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h2-12H2,1H3
• InChIKey: SSVQUYHNTDJHGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadecane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadecane
• 别名: 1-(Perfluoro-n-hexyl)dodecane

登记号

• CAS号: 90499-30-2
• MDL号: MFCD04038340
• PubChem SID: 160975393
• PubChem CID: 2782210

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.7261505
• LogD (pH = 7.4): 9.7261505
• Log P: 9.7261505
• 摩尔折射率: 86.1521 cm^3
• 极化性: 32.092876 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false