chempirical

4-Fluoro-3-(trifluoromethyl)anisole

C8H6F4OCAS 127271-65-2194.13 g/mol

Open in Covalent MOL file
OFFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H6F4O
Molar mass
194.13 g/mol
Exact mass
194.0355 Da
logP
2.85Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
127271-65-2
SMILES
COC1=CC(=C(C=C1)F)C(F)(F)F
InChIKey
VUSCMOUYRPIURE-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F4O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3

Weigh it out

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Work with 4-Fluoro-3-(trifluoromethyl)anisole

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-methoxybenzene115144-40-660 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-157 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-756 % similar 1-Fluoro-4-methoxy-2-methylbenzene2338-54-755 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-453 % similar 3-Bromo-4-fluoroanisole1161497-23-953 % similar 2-Chloro-1-fluoro-4-methoxybenzene202925-07-353 % similar 4-Methoxy-2-(trifluoromethyl)benzoic acid127817-85-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-0 (1,1,2,2-Tetrafluoroethoxy)benzene350-57-2 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-7

Elsewhere

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