chempirical

2,3,4-Trifluoroanisole

C7H5F3OCAS 203245-16-3162.11 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

Identifiers

CAS number
203245-16-3
SMILES
COC1=C(C(=C(C=C1)F)F)F
InChIKey
LIVNSQZJDRPZKP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3

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

Names and synonyms

1 names
  • Benzene, 1,2,3-trifluoro-4-methoxy- (9ci)

Work with 2,3,4-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

1,2-Difluoro-3-methoxybenzene134364-69-567 % similar 2,3-Difluoro-6-methoxybenzaldehyde187543-87-959 % similar 2,3,6-Trifluoroanisole4920-34-759 % similar 2,3-Difluoro-4-methoxyphenol261763-29-559 % similar 1,2,3,4-Tetrafluorobenzene551-62-255 % similar 2,3-Difluoro-4-methoxyphenylboronic acid170981-41-653 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-653 % similar 3-Fluoro-4-methoxyphenol452-11-952 % 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 3,4,5-Trifluorobenzenemethanol220227-37-2 4-(Trifluoromethyl)phenol402-45-9 2-(Trifluoromethyl)phenol444-30-4 (Trifluoromethoxy)benzene456-55-3

Elsewhere

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