2-Fluoro-1,4-dimethoxybenzene

C8H9FO2CAS 82830-49-7156.16 g/mol

Open in Covalent MOL file
OOF
Aryl halideEther

Properties

Molecular formula
C8H9FO2
Molar mass
156.16 g/mol
Exact mass
156.0587 Da
logP
1.84Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
82830-49-7
SMILES
COc1ccc(OC)c(F)c1
InChIKey
WNCYZVMZKSOPMU-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 2-fluoro-1,4-dimethoxy-
  • 1,4-Dimethoxy-2-fluorobenzene
  • 3,6-Dimethoxyfluorobenzene

Work with 2-Fluoro-1,4-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

1,2-Difluoro-4-methoxybenzene115144-40-676 % similar 2,4-Difluoroanisole452-10-864 % similar 2-Fluoro-4-methylanisole399-55-362 % similar 3-Fluoro-4-methylanisole405-06-162 % similar 2-Fluoro-4-methoxyaniline458-52-662 % similar 1,2,4-Trimethoxybenzene135-77-362 % similar 2-Fluoro-4-methoxyphenol167683-93-460 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Fluoro-3-methoxyphenyl)methanol128495-45-4 1-Fluoro-2,4-dimethoxybenzene17715-70-7 4-Fluoro-1,2-dimethoxybenzene398-62-9 2-Fluoro-4-methoxybenzenemethanol405-09-4 1-Fluoro-3,5-dimethoxybenzene52189-63-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook