4-Amino-3-(trifluoromethoxy)benzonitrile

C₈H₅F₃N₂OCAS 175278-23-6202.14 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitrile Primary amine

Properties

Molecular formula: C₈H₅F₃N₂O
Molar mass: 202.14 g/mol
Exact mass: 202.0354 Da
logP: 2.04Crippen estimate
Polar surface area: 59.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

175278-23-6

SMILES

N#Cc1ccc(N)c(OC(F)(F)F)c1

InChIKey

QNJPSMLILRHZOW-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3N2O/c9-8(10,11)14-7-3-5(4-12)1-2-6(7)13/h1-3H,13H2

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 4-amino-3-(trifluoromethoxy)-
4-Amino-3-[(trifluoromethyl)oxy]benzonitrile

Work with 4-Amino-3-(trifluoromethoxy)benzonitrile

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

2-(Trifluoromethoxy)-1,4-benzenedicarbonitrile175278-16-767 % similar 3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-859 % similar 4-Chloro-2-(trifluoromethoxy)benzenamine175205-77-355 % similar 2-Trifluoromethoxyaniline1535-75-754 % similar 3,4-Diaminobenzonitrile17626-40-353 % similar 4-(Trifluoromethoxy)benzonitrile332-25-253 % similar 4-Amino-3-fluorobenzonitrile63069-50-151 % similar 4-Amino-3-(trifluoromethoxy)benzoic acid175278-22-548 % similar

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

Same formula

2-(2,2,2-Trifluoroethoxy)-3-pyridinecarbonitrile175277-89-1

Elsewhere

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