2-Fluoro-4-methylanisole

C8H9FOCAS 399-55-3140.16 g/mol

Open in Covalent MOL file
OF
Aryl halideEther

Properties

Molecular formula
C8H9FO
Molar mass
140.16 g/mol
Exact mass
140.0637 Da
logP
2.14Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
399-55-3
SMILES
CC1=CC(=C(C=C1)OC)F
InChIKey
FOVXANGOLMXKES-UHFFFAOYSA-N
InChI
InChI=1S/C8H9FO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3

Weigh it out

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

Work with 2-Fluoro-4-methylanisole

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-Fluoro-5-methylanisole63762-78-771 % similar 3,4-Dimethoxytoluene494-99-563 % similar 2,4-Difluoroanisole452-10-862 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-762 % similar 3,4-Difluorotoluene2927-34-662 % similar 2,4-Dimethylanisole6738-23-459 % similar 4-Bromo-2-fluoroanisole2357-52-058 % similar 3-Fluoro-4-methoxyaniline366-99-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-1-(4-Fluorophenyl)ethanol101219-68-5 (-)-1-(4-Fluorophenyl)ethanol101219-73-2 (S)-1-(2-Fluorophenyl)ethanol171032-87-4 3-Fluoro-4-methylbenzyl alcohol192702-79-7 1-Fluoro-4-methoxy-2-methylbenzene2338-54-7 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 3-Fluoro-alpha-methylbenzenemethanol402-63-1 1-(4-Fluorophenyl)ethanol403-41-8

Elsewhere

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