chempirical

Mesityl fluoride

C9H11FCAS 392-69-8138.19 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C9H11F
Molar mass
138.19 g/mol
Exact mass
138.0845 Da
logP
2.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
392-69-8
SMILES
CC1=CC(=C(C(=C1)C)F)C
InChIKey
ZLGPNBBJPOBSLY-UHFFFAOYSA-N
InChI
InChI=1S/C9H11F/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

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Names and synonyms

1 names
  • 2,4,6-Trimethylfluorobenzene

Work with Mesityl fluoride

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

4-Fluoro-3,5-dimethylaniline1840-27-357 % similar Isodurene527-53-752 % similar Iodomesitylene4028-63-150 % similar 2-Fluoro-1,3-dimethylbenzene443-88-950 % similar 2,4,6-Trimethylthiophenol1541-10-248 % similar 2-Chloromesitylene1667-04-548 % similar Trimesitylphosphine23897-15-648 % similar Mesitol527-60-648 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook