chempirical

5-Fluoro-2-(trifluoromethyl)phenylacetonitrile

C9H5F4NCAS 242812-09-5203.14 g/mol

Open in Covalent MOL file
FNFFF
Alkyl halideAryl halideNitrile

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
242812-09-5
SMILES
C1=CC(=C(C=C1F)CC#N)C(F)(F)F
InChIKey
ODNBTVLWRJNGCS-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F4N/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,5H,3H2

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Work with 5-Fluoro-2-(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

2,5-Bis(trifluoromethyl)phenylacetonitrile302911-99-568 % similar 2,5-Difluorobenzeneacetonitrile69584-87-862 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-961 % similar 5-Fluoro-2-(trifluoromethyl)benzenemethanamine231291-14-860 % similar 5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-060 % similar 5-Fluoro-2-(trifluoromethyl)benzyl bromide239135-48-960 % similar 2,4-Difluorophenylacetonitrile656-35-957 % similar 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-756 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-0 2-Fluoro-5-(trifluoromethyl)phenylacetonitrile220227-59-8 4-Fluoro-3-(trifluoromethyl)benzeneacetonitrile220239-65-6 2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile239087-10-6 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-7 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile239087-12-8 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile80141-94-2

Elsewhere

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