1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,43,44,44,44-Pentacontafluorotetratetracontane
基本情報
- CAS
114221-78-2- 標準SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
VEGRVJJJOBLZDZ-UHFFFAOYSA-N- 分子式
- C44H40F50
- 平均分子量
- 1,518.7 g/mol
- 単同位体質量
- 1,518.2331594
名称と識別子
- 優先名称
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,43,44,44,44-Pentacontafluorotetratetracontane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,43,44,44,44-pentacontafluorotetratetracontane
名称と別名
DTXSID708955811,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,33,33,34,34,35,35,36,36,37,37,38,38,39,39,40,40,41,41,42,42,43,43,44,44,44-Pentacontafluorotetratetracontane114221-78-2RefChem:212536DTXCID901325096NS00111418
データベース識別子
- CAS
114221-78-2- PubChem CID
- 138396341
- DTXSID
DTXSID70895581
物性
構造計算による物性
- XLogP
- 27.3
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 50
- 回転可能結合数
- 41
- 重原子数
- 94
- 形式電荷
- 0
- 複雑度
- 2,240
実験および物理化学的性質
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
化学と産業
用途と製造
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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
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