chempirical

4-Trifluoromethoxytoluene

C8H7F3OCAS 706-27-4176.14 g/mol

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OFFF
Alkyl halideEther

Properties

Molecular formula
C8H7F3O
Molar mass
176.14 g/mol
Exact mass
176.0449 Da
logP
2.89Crippen 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
706-27-4
SMILES
CC1=CC=C(C=C1)OC(F)(F)F
InChIKey
JUXFXYQUXNXVAA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3O/c1-6-2-4-7(5-3-6)12-8(9,10)11/h2-5H,1H3

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Names and synonyms

1 names
  • 4-(Trifluoromethoxy)toluene

Work with 4-Trifluoromethoxytoluene

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-Methoxy-4-(trifluoromethoxy)benzene710-18-962 % similar 1-Methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene1737-11-759 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 4-(Trifluoromethoxy)thiophenol169685-29-456 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % 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-4-(trifluoromethyl)benzene402-52-8

Elsewhere

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