1,4-Difluoro-2,5-dimethoxybenzene

C8H8F2O2CAS 199866-90-5174.15 g/mol

Open in Covalent MOL file
OFOF
Aryl halideEther

Properties

Molecular formula
C8H8F2O2
Molar mass
174.15 g/mol
Exact mass
174.0492 Da
logP
1.98Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
199866-90-5
SMILES
COc1cc(F)c(OC)cc1F
InChIKey
QNQUBUBFPGHXAL-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Benzene, 1,4-difluoro-2,5-dimethoxy-
  • 2,5-Difluoro-1,4-dimethoxybenzene

Work with 1,4-Difluoro-2,5-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

1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-971 % similar 2,5-Difluoro-4-methoxybenzaldehyde879093-08-063 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-760 % similar 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-560 % similar 2,4-Difluoroanisole452-10-860 % similar 1,4-Difluoro-2-methoxybenzene75626-17-460 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-760 % similar 2-Fluoro-4-methylanisole399-55-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Hydroxy-4-ethoxy-2,3-difluorobenzene126163-56-2 1,2-Difluoro-4,5-dimethoxybenzene203059-80-7 4-(Difluoromethoxy)benzyl alcohol659-33-6 (2-(Difluoromethoxy)phenyl)methanol72768-94-6

Elsewhere

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