chempirical

1-Methoxy-4-(trifluoromethyl)benzene

C8H7F3OCAS 402-52-8176.14 g/mol

Open in Covalent MOL file
OFFF
Alkyl halideEther

Properties

Molecular formula
C8H7F3O
Molar mass
176.14 g/mol
Exact mass
176.0449 Da
logP
2.71Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
402-52-8
SMILES
COC1=CC=C(C=C1)C(F)(F)F
InChIKey
CFIPQRIPCRRISV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3

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Names and synonyms

1 names
  • 4-(Trifluoromethyl)anisole

Work with 1-Methoxy-4-(trifluoromethyl)benzene

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

3,5-Bis(trifluoromethyl)anisole349-60-062 % similar 3-Amino-4-(4-methoxyphenoxy)benzotrifluoride62966-74-959 % similar 4-tert-Butylanisole5396-38-358 % similar 1,4-Dimethoxybenzene150-78-757 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-956 % similar 3-Trifluoromethyl-4'-methoxydiphenylamine1494-26-454 % similar 4-(Trifluoromethyl)diphenyl ether2367-02-454 % similar

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

Same formula

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-7 2,2,2-Trifluoro-1-phenylethanol340-04-5 2,2,2-Trifluoro-1-phenylethanol340-05-6 (+)-2,2,2-Trifluoro-1-phenylethanol340-06-7 2-(Trifluoromethyl)benzenemethanol346-06-5 3-(Trifluoromethyl)benzenemethanol349-75-7 4-(Trifluoromethyl)benzenemethanol349-95-1 1-Methoxy-3-(trifluoromethyl)benzene454-90-0

Elsewhere

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