chempirical

3-(Trifluoromethyl)phenoxyacetonitrile

C9H6F3NOCAS 2145-31-5201.15 g/mol

Open in Covalent MOL file
ONFFF
Alkyl halideEtherNitrile

Properties

Molecular formula
C9H6F3NO
Molar mass
201.15 g/mol
Exact mass
201.0401 Da
logP
2.61Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
2145-31-5
SMILES
C1=CC(=CC(=C1)OCC#N)C(F)(F)F
InChIKey
UGZFDPFADQHEMW-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h1-3,6H,5H2

Weigh it out

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

Work with 3-(Trifluoromethyl)phenoxyacetonitrile

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-(3-Chlorophenoxy)acetonitrile43111-32-661 % similar 1-(Phenylmethoxy)-3-(trifluoromethyl)benzene70097-64-261 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-355 % similar 1-Methoxy-3-(trifluoromethyl)benzene454-90-051 % similar 3,5-Dichlorophenoxyacetonitrile103140-12-149 % similar 3-(Trifluoromethyl)benzoylacetonitrile27328-86-548 % similar 3-(Trifluoromethyl)benzonitrile368-77-447 % similar 3,5-Bis(trifluoromethyl)benzene402-31-347 % similar

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

Same formula

2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-8 2-Triflnoromethoxybenzyl cyanide137218-25-8 6-Trifluoromethyloxindole1735-89-3 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-5 2-Methoxy-5-(trifluoromethyl)benzonitrile34636-92-5 1,3-Dihydro-7-(trifluoromethyl)-2H-indol-2-one56341-40-3

Elsewhere

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