chempirical

2-Fluoro-5-(trifluoromethyl)phenylacetonitrile

C9H5F4NCAS 220227-59-8203.14 g/mol

Open in Covalent MOL file
FFFNF
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

Identifiers

CAS number
220227-59-8
SMILES
C1=CC(=C(C=C1C(F)(F)F)CC#N)F
InChIKey
UTHSCSXLGDJQGQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F4N/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.

Work with 2-Fluoro-5-(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)phenylacetonitrile302911-99-571 % similar 2-Chloro-5-(trifluoromethyl)benzeneacetonitrile22902-88-165 % similar 2,5-Difluorobenzeneacetonitrile69584-87-860 % similar 2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-258 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-258 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-058 % similar 4-(Trifluoromethyl)benzeneacetonitrile2338-75-254 % similar 3-Cyano-4-fluorobenzotrifluoride4088-84-054 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-0 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 5-Fluoro-2-(trifluoromethyl)phenylacetonitrile242812-09-5 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile80141-94-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook