1,1,1-trifluoro-N,N-bis(7-methyloctyl)methanesulfonamide

• ChemBase编号: 162367
• 分子式: C19H38F3NO2S
• 平均质量: 401.5707296
• 单一同位素质量: 401.25753512
• SMILES: C(CCCCCCN(CCCCCCC(C)C)S(=O)(=O)C(F)(F)F)(C)C
• Canonical SMILES: CC(CCCCCCN(S(=O)(=O)C(F)(F)F)CCCCCCC(C)C)C
• InChI: InChI=1S/C19H38F3NO2S/c1-17(2)13-9-5-7-11-15-23(26(24,25)19(20,21)22)16-12-8-6-10-14-18(3)4/h17-18H,5-16H2,1-4H3
• InChIKey: SGIULDUAUYRDLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1-trifluoro-N,N-bis(7-methyloctyl)methanesulfonamide
• IUPAC传统名: 1,1,1-trifluoro-N,N-bis(7-methyloctyl)methanesulfonamide
• 别名: N,N-Bis(7-methyloctanyl)trifluoromethane Sulfonamide

登记号

• PubChem SID: 162256502
• PubChem CID: 71314098

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.7988987
• LogD (pH = 7.4): 7.7988987
• Log P: 7.7988987
• 摩尔折射率: 101.9631 cm^3
• 极化性: 40.22902 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ether; Methanol
• 外观: Colourless Oil