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

C10H8F2O2CAS 1453211-49-8198.17 g/mol

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FOOF
AlkyneAryl halideEther

Properties

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

Hazards

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

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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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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

4-Ethynyl-1,2-dimethoxybenzene4302-52-745 % similar 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 3-Chloro-2-fluoroanisole261762-56-540 % similar 1-Ethynyl-3 5-dimethoxybenzene 98171290-52-139 % similar 2,3,6,7,10,11-Hexamethoxytriphenylene808-57-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxylic acid220352-36-3

Elsewhere

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