Chem
J-GLOBAL ID：201807019907778153
Nikkaji number：J3.692.547G
4α-Methyl-4-[4-(trifluoromethyl)phenyl]-2-cyclohexene-1-one
4α-メチル-4-[4-(トリフルオロメチル)フェニル]-2-シクロヘキセン-1-オン
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： C14H13F3O
Molecular formula furigana： C14-H13-F3-O
Molecular weight： 254.252
InChI：
InChI=1S/C14H13F3O/c1-13(8-6-12(18)7-9-13)10-2-4-11(5-3-10)14(15,16)17/h2-6,8H,7,9H2,1H3/t13-/m1/s1
InChI key：
RNIBCFAZXNLXSA-CYBMUJFWSA-N
SMILES：
C[C@@]1(CCC(=O)C=C1)c1ccc(cc1)C(F)(F)F
Systematic name (3)：
- 4α-メチル-4-[4-(トリフルオロメチル)フェニル]-2-シクロヘキセン-1-オン
- (4S)-4-メチル-4-[4-(トリフルオロメチル)フェニル]シクロヘキサ-2-エン-1-オン
- (4S)-4-methyl-4-[4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
- 4α-Methyl-4-[4-(trifluoromethyl)phenyl]-2-cyclohexene-1-one
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