chempirical

5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile

C14H8F3NCAS 1108745-25-0247.22 g/mol

Open in Covalent MOL file
FFNF
Aryl halideNitrile

Properties

Molecular formula
C14H8F3N
Molar mass
247.22 g/mol
Exact mass
247.0609 Da
logP
3.57Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
1108745-25-0
SMILES
C1=CC(=C(C=C1CC2=CC(=CC(=C2)F)F)C#N)F
InChIKey
RWGYBBYLYLUHJF-UHFFFAOYSA-N
InChI
InChI=1S/C14H8F3N/c15-12-5-10(6-13(16)7-12)3-9-1-2-14(17)11(4-9)8-18/h1-2,4-7H,3H2

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Work with 5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile

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-Difluorobenzonitrile64248-64-259 % similar 5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzonitrile1021298-68-950 % similar 5-Bromo-2-fluorobenzonitrile179897-89-347 % similar 2-Fluoro-5-iodobenzonitrile351003-36-647 % similar 5-Amino-2-fluorobenzonitrile53312-81-547 % similar 5-Chloro-2-fluorobenzonitrile57381-34-747 % similar 2,4-Difluorobenzonitrile3939-09-146 % similar 2-Fluoro-5-methoxybenzonitrile127667-01-044 % similar

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

Elsewhere

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