3-Ethynyl-2,4-difluoro-1,5-dimethoxybenzene

C₁₀H₈F₂O₂CAS 1453211-49-8198.17 g/mol

Open in Covalent MOL file

Alkyne Aryl halide Ether

Properties

Molecular formula: C₁₀H₈F₂O₂
Molar mass: 198.17 g/mol
Exact mass: 198.0492 Da
logP: 1.96Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

1453211-49-8

SMILES

C#Cc1c(F)c(OC)cc(OC)c1F

InChIKey

MYFVIVQTNOMFSA-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F2O2/c1-4-6-9(11)7(13-2)5-8(14-3)10(6)12/h1,5H,2-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzene, 3-ethynyl-2,4-difluoro-1,5-dimethoxy-

Work with 3-Ethynyl-2,4-difluoro-1,5-dimethoxybenzene

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

5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-042 % similar 1-Ethynyl-2-methoxybenzene767-91-941 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-540 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-740 % similar 1,2-Difluoro-3-methoxybenzene134364-69-537 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-637 % similar 2,3,5,6-Tetrafluoroanisole2324-98-336 % similar 1-Ethynyl-4-methoxybenzene768-60-535 % similar

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

Elsewhere

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