基本情報
- CAS
824414-01-9- 標準SMILES
OC(CC(CC(O)(C(F)(F)F)C(F)(F)F)=NCCN=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F- InChIKey
HDBIBNBCLRAMBD-UHFFFAOYSA-N- 分子式
- C20H16F24N2O4
- 平均分子量
- 804.3 g/mol
- 単同位体質量
- 804.0726829
名称と識別子
- 優先名称
- 1,1,1,7,7,7-Hexafluoro-4-[2-[[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-ylidene]amino]ethylimino]-2,6-bis(trifluoromethyl)heptane-2,6-diol
- IUPAC
- 1,1,1,7,7,7-hexafluoro-4-[2-[[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-ylidene]amino]ethylimino]-2,6-bis(trifluoromethyl)heptane-2,6-diol
名称と別名
824414-01-9MFCD084480564,4'-(Ethane-1,2-diylbis(azaneylylidene))bis(1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,6-diol)1,1,1,7,7,7-hexafluoro-4-[2-[[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-ylidene]amino]ethylimino]-2,6-bis(trifluoromethyl)heptane-2,6-diolEthylene-bis(1,5-hexafluoroisopropyl) 4-iminoheptaneDTXSID301114108C20H16F24N2O4AKOS025212614Ethylenebis[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-imino-heptane1,1,1,7,7,7-hexafluoro-4-[2-[[4,4,4-trifluoro-3-hydroxy-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-3-(trifluoromethyl)butylidene]amino]ethylimino]-2,6-bis(trifluoromethyl)heptane-2,6-diol2,6-Heptanediol, 4,4'-(1,2-ethanediyldinitrilo)bis[1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)-2,6-Heptanediol, 4,4a(2)-(1,2-ethanediyldinitrilo)bis[1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)-
名称をさらに表示
4,4'-[Ethane-1,2-diylbis(azanylylidene)]bis[1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,6-diol]
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 106 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 30
- 回転可能結合数
- 11
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 978
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