chempirical

2-Chloro-5-(trifluoromethyl)benzeneacetonitrile

C9H5ClF3NCAS 22902-88-1219.59 g/mol

Open in Covalent MOL file
NFFFCl
Alkyl halideAryl halideNitrile

Properties

Molecular formula
C9H5ClF3N
Molar mass
219.59 g/mol
Exact mass
219.0063 Da
logP
3.42Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
22902-88-1
SMILES
N#CCc1cc(C(F)(F)F)ccc1Cl
InChIKey
KTMVZYQQKJZSFK-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClF3N/c10-8-2-1-7(9(11,12)13)5-6(8)3-4-14/h1-2,5H,3H2

Weigh it out

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

Names and synonyms

4 names
  • Benzeneacetonitrile, 2-chloro-5-(trifluoromethyl)-
  • Acetonitrile, (6-chloro-α,α,α-trifluoro-m-tolyl)-
  • 2-Chloro-5-trifluoromethylbenzylcyanide
  • 2-[2-Chloro-5-(trifluoromethyl)phenyl]acetonitrile

Work with 2-Chloro-5-(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

2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-761 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-259 % similar 2-Chloro-5-(trifluoromethyl)benzonitrile328-87-059 % similar (2-Chlorophenyl)acetonitrile2856-63-556 % similar [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-355 % similar 3,4-Dichlorobenzotrifluoride328-84-753 % similar 4-(Trifluoromethyl)benzeneacetonitrile2338-75-253 % similar 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile13544-06-451 % similar

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

Elsewhere

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