2-Triflnoromethoxybenzyl cyanide

C₉H₆F₃NOCAS 137218-25-8201.15 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitrile

Properties

Molecular formula: C₉H₆F₃NO
Molar mass: 201.15 g/mol
Exact mass: 201.0401 Da
logP: 2.65Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

137218-25-8

SMILES

C1=CC=C(C(=C1)CC#N)OC(F)(F)F

InChIKey

OIKWCWVMUBCXJM-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2

Weigh it out

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

Names and synonyms

1 names

2-(Trifluoromethoxy)phenylacetonitrile

Work with 2-Triflnoromethoxybenzyl cyanide

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)benzenemethanamine175205-64-859 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-659 % similar 2-Methoxybenzeneacetonitrile7035-03-256 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-953 % similar 1,2-Benzenediacetonitrile613-73-052 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-451 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-851 % similar 2-Fluorobenzeneacetonitrile326-62-547 % similar

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

Same formula

2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-8 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-5 1,3-Dihydro-7-(trifluoromethyl)-2H-indol-2-one56341-40-3

Elsewhere

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