5-(1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

C₁₄H₁₁F₃O₅CAS 764667-64-3316.23 g/mol

Open in Covalent MOL file

Acetal Alkene Aryl halide Ester Lactone

Properties

Molecular formula: C₁₄H₁₁F₃O₅
Molar mass: 316.23 g/mol
Exact mass: 316.0559 Da
logP: 2.29Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

764667-64-3

SMILES

CC1(OC(=O)C(=C(CC2=CC(=C(C=C2F)F)F)O)C(=O)O1)C

InChIKey

COUGIGFQGFTRPG-UHFFFAOYSA-N

InChI

InChI=1S/C14H11F3O5/c1-14(2)21-12(19)11(13(20)22-14)10(18)4-6-3-8(16)9(17)5-7(6)15/h3,5,18H,4H2,1-2H3

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Names and synonyms

1 names

5-1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene-2,2-dimethyl-1,3-dioxane-4,6-dione

Work with 5-(1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Trifluorophenylacetic acid209995-38-047 % similar 5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione85920-63-441 % similar Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate769195-26-839 % similar 2-Bromo-4,5-difluorophenylacetic acid883502-07-634 % similar 2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-033 % similar 2-(2-Fluoro-5-methylphenyl)acetic acid203314-27-633 % similar 2-Fluoro-4-methylbenzeneacetic acid518070-28-533 % similar 2,4,5-Trifluorobenzyl alcohol144284-25-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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