7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol

• ChemBase编号: 99397
• 分子式: C15H13F19O
• 平均质量: 570.2327808
• 单一同位素质量: 570.06630122
• SMILES: FC(C(C(C(C(C(C(C(CCCCCCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: OCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C15H13F19O/c16-7(17,5-3-1-2-4-6-35)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h35H,1-6H2
• InChIKey: NLUBBCMDGCPSRF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
• IUPAC传统名: 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
• 别名: 6-(Perfluoro-7-methyloctyl)hexan-1-ol

登记号

• MDL号: MFCD00236079
• PubChem SID: 162085665
• PubChem CID: 2776233

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 7.462324
• LogD (pH = 7.4): 7.462324
• Log P: 7.462324
• 摩尔折射率: 74.7529 cm^3
• 极化性: 28.320808 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Flammable