Chem
J-GLOBAL ID:201207023429228170   Nikkaji number:J3.079.276I

1β-Propyl-3-[4-(trifluoromethyl)phenyl]-2-cyclopropene-1α-carboxylic acid 1-isopropyl-2-methylpropyl ester

1β-プロピル-3-[4-(トリフルオロメチル)フェニル]-2-シクロプロペン-1α-カルボン酸1-イソプロピル-2-メチルプロピル
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: C21H27F3O2
Molecular formula furigana: C21-H27-F3-O2
Molecular weight: 368.440
InChI: InChI=1S/C21H27F3O2/c1-6-11-20(19(25)26-18(13(2)3)14(4)5)12-17(20)15-7-9-16(10-8-15)21(22,23)24/h7-10,12-14,18H,6,11H2,1-5H3/t20-/m1/s1
InChI key: JDXOVSWFBYOTMX-HXUWFJFHSA-N
SMILES: CCC[C@]1(C=C1c1ccc(cc1)C(F)(F)F)C(=O)OC(C(C)C)C(C)C
Systematic name  (3):
  • 1β-プロピル-3-[4-(トリフルオロメチル)フェニル]-2-シクロプロペン-1α-カルボン酸1-イソプロピル-2-メチルプロピル
  • 2,4-ジメチルペンタン-3-イル (1R)-1-プロピル-2-[4-(トリフルオロメチル)フェニル]シクロプロパ-2-エン-1-カルボキシラート
  • 2,4-dimethylpentan-3-yl (1R)-1-propyl-2-[4-(trifluoromethyl)phenyl]cycloprop-2-ene-1-carboxylate
Other name (1):
  • 1β-Propyl-3-[4-(trifluoromethyl)phenyl]-2-cyclopropene-1α-carboxylic acid 1-isopropyl-2-methylpropyl ester
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