2-(Trifluoromethyl)benzeneacetonitrile

C₉H₆F₃NCAS 3038-47-9185.15 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
Melting point: 33 °C
logP: 2.77Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

3038-47-9

SMILES

N#CCc1ccccc1C(F)(F)F

InChIKey

QXDCZSJGEUSERL-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F3N/c10-9(11,12)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

7 names

Benzeneacetonitrile, 2-(trifluoromethyl)-
Acetonitrile, (α,α,α-trifluoro-o-tolyl)-
(α,α,α-Trifluoro-o-tolyl)acetonitrile
2-(Trifluoromethyl)phenylacetonitrile
2-(2-Trifluoromethylphenyl)ethanenitrile
1-[2-(Trifluoromethyl)phenyl]acetonitrile
2-[2-(Trifluoromethyl)phenyl]acetonitrile

Work with 2-(Trifluoromethyl)benzeneacetonitrile

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

Same formula

5-(Trifluoromethyl)-1H-indole100846-24-0 4-(Trifluoromethyl)benzeneacetonitrile2338-75-2 [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-3

Elsewhere

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