Chem
J-GLOBAL ID：200907060564804587
Nikkaji number：J337.615J
1-Cyclopropyl-1-[3,5-bis(trifluoromethyl)phenyl]-(2,2,2-2H3)ethan-1-ium
1-[3,5-ビス(トリフルオロメチル)フェニル]-1-シクロプロピル(2,2,2-2H3)エタニウム
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
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
Molecular formula： C12[C+]H10[2H]3F6
Molecular formula furigana： C13-H13-F6
Molecular weight： 286.255
InChI：
InChI=1S/C13H11F6/c1-7(8-2-3-8)9-4-10(12(14,15)16)6-11(5-9)13(17,18)19/h4-6,8H,2-3H2,1H3/q+1/i1D3
InChI key：
WIHLXSADMPOGIE-FIBGUPNXSA-N
SMILES：
C([2H])([2H])([2H])[C+](C1CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Systematic name (3)：
- 1-シクロプロピル-1-[3,5-ビス(トリフルオロメチル)フェニル]-(2,2,2-2H3)エタン-1-イウム
- 1-[3,5-ビス(トリフルオロメチル)フェニル]-1-シクロプロピル(2,2,2-2H3)エタニウム
- 1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl(2,2,2-2H3)ethanium
- 1-Cyclopropyl-1-[3,5-bis(trifluoromethyl)phenyl]-(2,2,2-2H3)ethan-1-ium
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