4-Fluoro-3-(trifluoromethyl)benzeneacetonitrile

C₉H₅F₄NCAS 220239-65-6203.14 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₉H₅F₄N
Molar mass: 203.14 g/mol
Exact mass: 203.0358 Da
logP: 2.91Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

220239-65-6

SMILES

N#CCc1ccc(F)c(C(F)(F)F)c1

InChIKey

ZWNJWEIQLXEBAM-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F4N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3H2

Weigh it out

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

Names and synonyms

3 names

Benzeneacetonitrile, 4-fluoro-3-(trifluoromethyl)-
(4-Fluoro-3-trifluoromethylphenyl)acetonitrile
2-[4-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile

Work with 4-Fluoro-3-(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

Similar compounds

3,4-Difluorobenzeneacetonitrile658-99-164 % similar 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-158 % similar 4-(Trifluoromethyl)benzeneacetonitrile2338-75-254 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-353 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-451 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-950 % similar 3,5-Bis(trifluoromethyl)benzeneacetonitrile85068-32-250 % similar 2,2-Difluoro-1,3-benzodioxole-5-acetonitrile68119-31-346 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile239087-10-6 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-7 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile80141-94-2

Elsewhere

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