4-Methyl-3-(trifluoromethyl)benzonitrile

C₉H₆F₃NCAS 261952-06-1185.15 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₉H₆F₃N
Molar mass: 185.15 g/mol
Exact mass: 185.0452 Da
logP: 2.89Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

261952-06-1

SMILES

CC1=C(C=C(C=C1)C#N)C(F)(F)F

InChIKey

YWAGJCPTOFPGIS-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,1H3

Weigh it out

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

Work with 4-Methyl-3-(trifluoromethyl)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

4-Hydroxy-3-(trifluoromethyl)benzonitrile124811-71-860 % similar 4-Bromo-3-(trifluoromethyl)benzonitrile1735-53-160 % similar 4-Chloro-3-(trifluoromethyl)benzonitrile1735-54-260 % similar 2-Amino-5-cyanobenzotrifluoride327-74-260 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-559 % similar 3,4-Dimethylbenzonitrile22884-95-358 % similar 3-Fluoro-4-(trifluoromethyl)benzonitrile231953-38-157 % similar 3-Fluoro-4-methylbenzonitrile170572-49-356 % similar

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

Same formula

5-(Trifluoromethyl)-1H-indole100846-24-0 4-(Trifluoromethyl)-1H-indole128562-95-8 6-(Trifluoromethyl)indole13544-43-9 4-(Trifluoromethyl)benzeneacetonitrile2338-75-2 [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-3 2-(Trifluoromethyl)benzeneacetonitrile3038-47-9

Elsewhere

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