2-Fluoro-6-(trifluoromethyl)phenylacetonitrile

C₉H₅F₄NCAS 179946-34-0203.14 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

179946-34-0

SMILES

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

InChIKey

SFLYZUWDTDYATN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile

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

2,6-Difluorobenzeneacetonitrile654-01-368 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-959 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-258 % similar 2-Chloro-6-fluorobenzeneacetonitrile75279-55-958 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-354 % similar 2-Fluorobenzotrifluoride392-85-853 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-553 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-550 % similar

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

Same formula

4-Fluoro-3-(trifluoromethyl)benzeneacetonitrile220239-65-6 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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