chempirical

2,3-Difluorobenzeneacetonitrile

C8H5F2NCAS 145689-34-5153.13 g/mol

Open in Covalent MOL file
NFF
Aryl halideNitrile

Properties

Molecular formula
C8H5F2N
Molar mass
153.13 g/mol
Exact mass
153.0390 Da
logP
2.03Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
145689-34-5
SMILES
N#CCc1cccc(F)c1F
InChIKey
IYRCHGRRMKOSHW-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2N/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2

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

Names and synonyms

3 names
  • Benzeneacetonitrile, 2,3-difluoro-
  • (2,3-Difluorophenyl)acetonitrile
  • 2-(2,3-Difluorophenyl)acetonitrile

Work with 2,3-Difluorobenzeneacetonitrile

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-Fluorobenzeneacetonitrile326-62-571 % similar 2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile239087-10-660 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-556 % similar 1,2-Benzenediacetonitrile613-73-056 % similar 2,3-Difluorobenzyl bromide113211-94-255 % similar 2,3-Difluorobenzyl alcohol75853-18-853 % similar 2-Chloro-6-fluorobenzeneacetonitrile75279-55-951 % similar (2-Chlorophenyl)acetonitrile2856-63-550 % similar

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

Same formula

2,5-Difluoro-4-methylbenzonitrile1003708-66-4 3,5-Difluorophenylacetonitrile122376-76-5 5,6-Difluoro-1H-indole169674-01-5 4,5-Difluoro-1H-indole247564-63-2 2,6-Difluorobenzeneacetonitrile654-01-3 2,4-Difluorophenylacetonitrile656-35-9 3,4-Difluorobenzeneacetonitrile658-99-1 2,5-Difluorobenzeneacetonitrile69584-87-8

Elsewhere

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