200862-69-7 ((1,3-Hexanedione, 1,1'-[1,1':2',1''-terphenyl]-4,4''-diylbis[4,4,5,5,6,6,6-heptafluoro-)

CAS号:
200862-69-7
英文名称:
1,3-Hexanedione, 1,1'-[1,1':2',1''-terphenyl]-4,4''-diylbis[4,4,5,5,6,6,6-heptafluoro-
分子式:
C30H16F14O4
分子量:
706.42329788208

1,3-Hexanedione, 1,1'-[1,1':2',1''-terphenyl]-4,4''-diylbis[4,4,5,5,6,6,6-heptafluoro-(200862-69-7)名称与标识符

名称

英文别名:
1,3-Hexanedione,1,1'-[1,1':2',1''-terphenyl]-4,4''-diylbis[4,4,5,5,6,6,6-heptafluoro-;1,3-Hexanedione, 1,1'-[1,1':2',1''-terphenyl]-4,4''-diylbis[4,4,5,5,6,6,6-heptafluoro-;4'-(4,4,5,5,6,6,6-Heptafluoro-3-oxohexanoyl)-5-[4-(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)phenyl]-[1,1'-biphenyl];

标识符

InChIKey:
RNGCGRQNGQFBJS-UHFFFAOYSA-N
Inchi:
1S/C30H16F14O4/c31-25(32,27(35,36)29(39,40)41)23(47)13-21(45)17-9-5-15(6-10-17)19-3-1-2-4-20(19)16-7-11-18(12-8-16)22(46)14-24(48)26(33,34)28(37,38)30(42,43)44/h1-12H,13-14H2
SMILES:
C1(C2=CC=CC=C2C2=CC=C(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=C2)=CC=C(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=C1

1,3-Hexanedione, 1,1'-[1,1':2',1''-terphenyl]-4,4''-diylbis[4,4,5,5,6,6,6-heptafluoro-(200862-69-7)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 14
  • 重原子数量 : 48