2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,23,24,24,24-hexacosafluoro-2,5,8,11,14,17,20-heptakis(trifluoromethyl)-3,6,9,12,15,18,21-heptaoxatetracosanoyl fluoride

• ChemBase编号: 12077
• 分子式: C24F48O8
• 平均质量: 1328.1753536
• 单一同位素质量: 1327.88267152
• SMILES: FC(=O)C(OC(C(OC(C(OC(C(OC(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F
• InChI: InChI=1S/C24F48O8/c25-1(73)2(26,10(35,36)37)74-19(61,62)4(29,12(41,42)43)76-21(65,66)6(31,14(47,48)49)78-23(69,70)8(33,16(53,54)55)80-24(71,72)9(34,17(56,57)58)79-22(67,68)7(32,15(50,51)52)77-20(63,64)5(30,13(44,45)46)75-18(59,60)3(27,28)11(38,39)40
• InChIKey: GYBQTMUKFVWQKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,23,24,24,24-hexacosafluoro-2,5,8,11,14,17,20-heptakis(trifluoromethyl)-3,6,9,12,15,18,21-heptaoxatetracosanoyl fluoride
• IUPAC传统名: 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,23,24,24,24-hexacosafluoro-2,5,8,11,14,17,20-heptakis(trifluoromethyl)-3,6,9,12,15,18,21-heptaoxatetracosanoyl fluoride
• 别名: Perfluoro-2,5,8,11,14,17,20-heptamethyl-3,6,9,12,15,18,21-heptaoxatetracosanoyl fluoride; Perfluoro-2,5,8,11,14,17,20-heptamethyl-3,6,9,12,15,18,21-heptaoxatetracosanoyl fluoride 90%

登记号

• CAS号: 13140-25-5
• MDL号: MFCD03411205
• PubChem SID: 160975384
• PubChem CID: 2776114

理论计算性质

• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 18.562078
• LogD (pH = 7.4): 18.562078
• Log P: 18.562078
• 摩尔折射率: 135.2525 cm^3
• 极化性: 52.738956 Å^3
• 极化表面积: 81.68 Å^2
• 可自由旋转的化学键: 30
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 120-122°C/1mm
• 闪点: none°C
• 密度: 1.8

安全信息

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

产品相关信息

• 纯度: 90%