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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
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

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

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

4-Methoxy-2-(trifluoromethyl)aniline53903-49-464 % similar 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-662 % similar 4-Chloro-3-(trifluoromethyl)anisole400-73-762 % similar 1,2-Difluoro-4-methoxybenzene115144-40-660 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-157 % similar 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-657 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-756 % similar 1-Fluoro-4-methoxy-2-methylbenzene2338-54-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2-Fluoro-5-(trifluoromethyl)anisole261951-78-4

Elsewhere

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