[3-(Trifluoromethyl)phenyl]acetonitrile

C₉H₆F₃NCAS 2338-76-3185.15 g/mol

Open in Covalent MOL file

Halogen Nitrile

Properties

Molecular formula: C₉H₆F₃N
Molar mass: 185.15 g/mol
Exact mass: 185.0452 Da
Boiling point: 92–93 °C (at 4 Torr)
logP: 2.77Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2338-76-3

SMILES

N#CCc1cccc(C(F)(F)F)c1

InChIKey

JOIYKSLWXLFGGR-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2

Weigh it out

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

Names and synonyms

9 names

Benzeneacetonitrile, 3-(trifluoromethyl)-
Acetonitrile, (α,α,α-trifluoro-m-tolyl)-
3-(Trifluoromethyl)benzeneacetonitrile
(α,α,α-Trifluoro-m-tolyl)acetonitrile
m-Trifluoromethylphenylacetonitrile
3-(Trifluoromethyl)benzyl cyanide
m-Trifluoromethylbenzyl cyanide
1-[3-(Trifluoromethyl)phenyl]acetonitrile
2-[3-(Trifluoromethyl)phenyl]acetonitrile

Work with [3-(Trifluoromethyl)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

Same formula

5-(Trifluoromethyl)-1H-indole100846-24-0 4-(Trifluoromethyl)benzeneacetonitrile2338-75-2 2-(Trifluoromethyl)benzeneacetonitrile3038-47-9

Elsewhere

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