chempirical

2-(3-(Trifluoromethoxy)phenyl)acetonitrile

C9H6F3NOCAS 108307-56-8201.15 g/mol

Open in Covalent MOL file
OFFFN
Alkyl halideEtherNitrile

Properties

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

Identifiers

CAS number
108307-56-8
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CC#N
InChIKey
WZLPHJZVNJXHPV-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2

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Names and synonyms

1 names
  • 3-(Trifluoromethoxy)phenylacetonitrile

Work with 2-(3-(Trifluoromethoxy)phenyl)acetonitrile

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

(3-Phenoxyphenyl)acetonitrile51632-29-261 % similar (3-Methoxyphenyl)acetonitrile19924-43-759 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-858 % similar 1,3-Benzenediacetonitrile626-22-256 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-355 % similar 3-Fluorobenzeneacetonitrile501-00-853 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-650 % similar 2,2-Difluoro-1,3-benzodioxole-5-acetonitrile68119-31-349 % similar

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

Same formula

2-Triflnoromethoxybenzyl cyanide137218-25-8 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-5 1,3-Dihydro-7-(trifluoromethyl)-2H-indol-2-one56341-40-3

Elsewhere

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