chempirical

2-Fluoro-1,3-dimethylbenzene

C8H9FCAS 443-88-9124.16 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C8H9F
Molar mass
124.16 g/mol
Exact mass
124.0688 Da
Boiling point
165–167 °C
logP
2.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
443-88-9
SMILES
Cc1cccc(C)c1F
InChIKey
JTAUTNBVFDTYTI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 2-fluoro-1,3-dimethyl-
  • m-Xylene, 2-fluoro-
  • 2-Fluoro-1,3-xylene
  • 3-Methyl-2-fluorotoluene
  • 2-Fluoro-m-xylene
  • 1-Fluoro-2,6-dimethylbenzene
  • 1,3-Dimethyl-2-fluorobenzene
  • 2,6-Dimethylfluorobenzene

Work with 2-Fluoro-1,3-dimethylbenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Difluoro-3-methylbenzene3828-49-771 % similar 1-Bromo-2-fluoro-3-methylbenzene59907-12-968 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-268 % similar 1,5-Dimethylnaphthalene571-61-950 % similar O-Xylene95-47-650 % similar 2-Fluorotoluene95-52-350 % similar 2-Iodo-1,3-dimethylbenzene608-28-648 % similar 2-Chloro-1,3-dimethylbenzene6781-98-248 % similar

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

Same formula

3-Fluoro-O-xylene443-82-3 4-Fluoro-1,2-dimethylbenzene452-64-2 1-Ethyl-4-fluorobenzene459-47-2

Elsewhere

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