1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)-N-propyloctane-1-sulfonamide

• ChemBase编号: 8547
• 分子式: C14H12F17NO3S
• 平均质量: 597.2878344
• 单一同位素质量: 597.02664399
• SMILES: S(=O)(=O)(N(CC1CO1)CCC)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC1CO1
• InChI: InChI=1S/C14H12F17NO3S/c1-2-3-32(4-6-5-35-6)36(33,34)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6H,2-5H2,1H3
• InChIKey: HEAWIZXIWLKJKG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)-N-propyloctane-1-sulfonamide
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(oxiran-2-ylmethyl)-N-propyloctane-1-sulfonamide
• 别名: N-n-Propyl-N-(2,3-epoxypropyl)perfluorooctyl-sulfonamide

登记号

• CAS号: 77620-64-5
• MDL号: MFCD00191486
• PubChem SID: 160971854
• PubChem CID: 4712723

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.022901
• LogD (pH = 7.4): 6.022901
• Log P: 6.022901
• 摩尔折射率: 80.325 cm^3
• 极化性: 31.355883 Å^3
• 极化表面积: 49.91 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

安全信息

• TSCA收录: false