4,4,5,5,6,6,7,7,8,9,9,9-十二氟代 -8-(三氟甲基)-1,2-壬二醇-1-(磷酸 二氢)酯
3-(Perfluoro-5-methylhexyl)-1,2-propanediol 1-(dihydrogen phosphate) · CAS 105416-14-6
- 中文名
- 4,4,5,5,6,6,7,7,8,9,9,9-十二氟代 -8-(三氟甲基)-1,2-壬二醇-1-(磷酸 二氢)酯
- 中文别名
- 暂无
- 英文名
- 3-(Perfluoro-5-methylhexyl)-1,2-propanediol 1-(dihydrogen phosphate)
- CAS
- 105416-14-6
- CID
- 138396247
- IUPAC 名称
- [4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl] dihydrogen phosphate
名称与编号
- 中文名
- 4,4,5,5,6,6,7,7,8,9,9,9-十二氟代 -8-(三氟甲基)-1,2-壬二醇-1-(磷酸 二氢)酯
- 中文别名
- 暂无
- 英文名
- 3-(Perfluoro-5-methylhexyl)-1,2-propanediol 1-(dihydrogen phosphate)
- CAS
- 105416-14-6
- CID
- 138396247
- IUPAC 名称
- [4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl] dihydrogen phosphate
分子属性
- 分子式
- C10H8F15O5P
- 分子量
- 524.12 g/mol
- 精确质量
- 523.9869828 Da
- 单同位素质量
- 523.9869828 Da
- XLogP
- 3.3
- 极性表面积
- 87 Ų
- 氢键供体
- 3
- 氢键受体
- 20
- 可旋转键
- 9
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 667
结构标识
- InChIKey
- FLTAYQUFCBSJOH-UHFFFAOYSA-N
- SMILES
- C(C(COP(=O)(O)O)O)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C10H8F15O5P/c11-4(12,1-3(26)2-30-31(27,28)29)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,26H,1-2H2,(H2,27,28,29)