基本情報
- CAS
101913-85-3- 標準SMILES
OC(CC(CC(O)(C(F)(F)F)C(F)(F)F)=NN=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
HDXYKTXHFBJCQB-UHFFFAOYSA-N- 分子式
- C18H12F24N2O4
- 平均分子量
- 776.3 g/mol
- 単同位体質量
- 776.0413828
名称と識別子
- 優先名称
- 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, azine
- IUPAC
- 1,1,1,7,7,7-hexafluoro-4-[[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-ylidene]hydrazinylidene]-2,6-bis(trifluoromethyl)heptane-2,6-diol
名称と別名
4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, azine101913-85-3DTXSID401443361,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone azineRefChem:292997DTXCID5066827NSC659205CHEMBL1976646NSC-659205NCI60_0208661,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone (4,4,4-trifluoro-3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl)-3-(trifluoromethyl)butylidene)hydrazone1,1,1,7,7,7-hexafluoro-4-[[4,4,4-trifluoro-3-hydroxy-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-3-(trifluoromethyl)butylidene]hydrazono]-2,6-bis(trifluoromethyl)heptane-2,6-diol
名称をさらに表示
4,4'-Hydrazinediylidenebis[1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,6-diol]4-Heptanone, 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-,?2-[4,4,4-trifluoro-3-hydroxy-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-3-(trifluoromethyl)butylidene]hydrazone
物性
構造計算による物性
- XLogP
- 5.9
- 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
- 9
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 945
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…