chempirical

4-(Trifluoromethoxy)aniline

C7H6F3NOCAS 461-82-5177.13 g/mol

Open in Covalent MOL file
H2NOFFF
Alkyl halideEtherPrimary amine

Properties

Molecular formula
C7H6F3NO
Molar mass
177.13 g/mol
Exact mass
177.0401 Da
Boiling point
73–75 °C (at 10 Torr)
logP
2.17Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
461-82-5
SMILES
Nc1ccc(OC(F)(F)F)cc1
InChIKey
XUJFOSLZQITUOI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

Weigh it out

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

Names and synonyms

10 names
  • Benzenamine, 4-(trifluoromethoxy)-
  • p-Anisidine, α,α,α-trifluoro-
  • 4-(Trifluoromethoxy)benzenamine
  • p-(Trifluoromethoxy)aniline
  • α,α,α-Trifluoro-p-anisidine
  • p-Trifluoromethoxyphenylamine
  • (4-(Trifluoromethoxy)phenyl)amine
  • 4-Trifluoromethoxybenzeneamine
  • 1-Amino-4-(trifluoromethoxy)benzene
  • 4-[(Trifluoromethyl)oxy]aniline

Work with 4-(Trifluoromethoxy)aniline

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-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-956 % similar 4-(Trifluoromethoxy)phenol828-27-356 % similar 4-(Trifluoromethoxy)benzylamine93919-56-355 % similar

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

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 2-Amino-5-(trifluoromethyl)phenol454-82-0

Elsewhere

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