chempirical

2-Trifluoromethoxyaniline

C7H6F3NOCAS 1535-75-7177.13 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
56 °C (at 11 Torr)
logP
2.17Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1535-75-7
SMILES
Nc1ccccc1OC(F)(F)F
InChIKey
ZFCOUBUSGHLCDT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2

Weigh it out

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

Names and synonyms

7 names
  • Benzenamine, 2-(trifluoromethoxy)-
  • o-Anisidine, α,α,α-trifluoro-
  • 2-(Trifluoromethoxy)benzenamine
  • o-(Trifluoromethoxy)aniline
  • 2-Trifluoromethoxyphenylamine
  • o-(Trifluoromethoxy)phenylamine
  • 2-(Trifluoromethyloxy)aniline

Work with 2-Trifluoromethoxyaniline

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-Chloro-2-(trifluoromethoxy)benzenamine175205-77-355 % similar 4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-654 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-953 % similar 2-(Trifluoromethoxy)benzenemethanamine175205-64-853 % similar 2-(Trifluoromethoxy)benzamide127979-74-250 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-450 % similar O-Anisidine90-04-050 % similar 2-(Trifluoromethoxy)benzenesulfonamide37526-59-349 % 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-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 2-Amino-5-(trifluoromethyl)phenol454-82-0 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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