chempirical

2-Fluoro-5-(trifluoromethyl)anisole

C8H6F4OCAS 261951-78-4194.13 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
261951-78-4
SMILES
COC1=C(C=CC(=C1)C(F)(F)F)F
InChIKey
AXEAQZIYCQTHQV-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F4O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3

Weigh it out

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

Work with 2-Fluoro-5-(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-(trifluoromethyl)benzene32137-19-262 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-559 % similar 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-457 % similar (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-357 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-756 % similar 1,4-Difluoro-2-methoxybenzene75626-17-456 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-253 % similar 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-553 % similar

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

Same formula

4-Fluoro-3-(trifluoromethyl)anisole127271-65-2 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-9 3-Fluoro-5-(trifluoromethyl)benzyl alcohol184970-29-4 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-9 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-2 2-Fluoro-3-(trifluoromethyl)benzyl alcohol207981-45-1 4-Fluoro-2-(trifluoromethyl)benzyl alcohol220227-29-2 5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-0

Elsewhere

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