chempirical

3,5-Difluorophenylacetonitrile

C8H5F2NCAS 122376-76-5153.13 g/mol

Open in Covalent MOL file
FFN
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
122376-76-5
SMILES
C1=C(C=C(C=C1F)F)CC#N
InChIKey
OBMYMTSBABEPIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2

Weigh it out

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

Work with 3,5-Difluorophenylacetonitrile

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

3-Fluorobenzeneacetonitrile501-00-867 % similar 4-Fluorobenzeneacetonitrile459-22-362 % similar (3-Cyanomethyl-5-methylphenyl)acetonitrile120511-74-252 % similar 3,5-Dimethylbenzeneacetonitrile39101-54-752 % similar 1,4-Benzenediacetonitrile622-75-350 % similar 3,5-Bis(trifluoromethyl)benzeneacetonitrile85068-32-250 % similar 1,3-Benzenediacetonitrile626-22-248 % similar 1-Ethyl-3,5-difluorobenzene117358-52-844 % similar

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

Same formula

2,5-Difluoro-4-methylbenzonitrile1003708-66-4 2,3-Difluorobenzeneacetonitrile145689-34-5 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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