Chem
J-GLOBAL ID：200907000413912679   Nikkaji number：J1.120.554B

2,2′-[(1S,2S)-Cyclopentane-1,2-diyl]bis[1,1-bis(trifluoromethyl)ethanol]

2,2′-[(1S,2S)-シクロペンタン-1,2-ジイル]ビス[1,1-ビス(トリフルオロメチル)エタノール]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H14F12O2
Molecular formula furigana： C13-H14-F12-O2
Molecular weight： 430.234
InChI： InChI=1S/C13H14F12O2/c14-10(15,16)8(26,11(17,18)19)4-6-2-1-3-7(6)5-9(27,12(20,21)22)13(23,24)25/h6-7,26-27H,1-5H2/t6-,7-/m0/s1
InChI key： UIDPHWYOLVBNCT-BQBZGAKWSA-N
SMILES： OC(C[C@@H]1CCC[C@H]1CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • 2,2′-[(1S,2S)-シクロペンタン-1,2-ジイル]ビス[1,1-ビス(トリフルオロメチル)エタノール]
  • 1,1,1,3,3,3-ヘキサフルオロ-2-{[(1S,2S)-2-[3,3,3-トリフルオロ-2-ヒドロキシ-2-(トリフルオロメチル)プロピル]シクロペンチル]メチル}プロパン-2-オール
  • 1,1,1,3,3,3-hexafluoro-2-{[(1S,2S)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl}propan-2-ol
Other name (1)：
  • 2,2′-[(1S,2S)-Cyclopentane-1,2-diyl]bis[1,1-bis(trifluoromethyl)ethanol]
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