2,3,6-Trifluoroanisole

C7H5F3OCAS 4920-34-7162.11 g/mol

Open in Covalent MOL file
OFFF
Aryl halideEther

Properties

Molecular formula
C7H5F3O
Molar mass
162.11 g/mol
Exact mass
162.0292 Da
logP
2.11Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
4920-34-7
SMILES
COC1=C(C=CC(=C1F)F)F
InChIKey
MLDVKASVEXYFKX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3

Weigh it out

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Work with 2,3,6-Trifluoroanisole

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

2,3,5,6-Tetrafluoroanisole2324-98-364 % similar 2,4-Difluoro-3-methoxybenzonitrile220353-20-861 % similar 1,3-Difluoro-2-methoxybenzene437-82-160 % similar 2,4-Difluoro-3-methoxybenzoic acid178974-97-556 % similar 3,4-Difluoro-2-methoxybenzoic acid875664-52-156 % similar 1,2-Difluoro-3-methoxybenzene134364-69-552 % similar Pentafluoromethoxybenzene389-40-250 % similar 3-Fluoro-2-methoxyaniline437-83-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Trifluorobenzyl alcohol114152-19-1 2,4,6-Trifluorobenzyl alcohol118289-07-9 2,3,4-Trifluorobenzyl alcohol144284-24-2 2,4,5-Trifluorobenzyl alcohol144284-25-3 2,3,4-Trifluoroanisole203245-16-3 3,4,5-Trifluorobenzenemethanol220227-37-2 4-(Trifluoromethyl)phenol402-45-9 2-(Trifluoromethyl)phenol444-30-4

Elsewhere

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