chempirical

2,3,6-Trifluorobenzonitrile

C7H2F3NCAS 136514-17-5157.10 g/mol

Open in Covalent MOL file
FNFF
Aryl halideNitrile

Properties

Molecular formula
C7H2F3N
Molar mass
157.10 g/mol
Exact mass
157.0139 Da
logP
1.98Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
136514-17-5
SMILES
C1=CC(=C(C(=C1F)C#N)F)F
InChIKey
YWTXHALVWAISPR-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H

Weigh it out

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

Work with 2,3,6-Trifluorobenzonitrile

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

2,6-Difluorobenzonitrile1897-52-560 % similar Tetrafluoroterephthalonitrile1835-49-052 % similar 2,3-Difluorobenzonitrile21524-39-052 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-152 % similar 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-050 % similar 1,2,3,4-Tetrafluorobenzene551-62-250 % similar 2-Chloro-6-fluorobenzonitrile668-45-150 % similar Pentafluorobenzonitrile773-82-050 % similar

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

Same formula

3,4,5-Trifluorobenzonitrile134227-45-5 2,3,4-Trifluorobenzonitrile143879-80-5 2,4,5-Trifluorobenzonitrile98349-22-5

Elsewhere

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