chempirical

2,4-Difluoro-1-methylbenzene

C7H6F2CAS 452-76-6128.12 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C7H6F2
Molar mass
128.12 g/mol
Exact mass
128.0438 Da
Melting point
−35 °C
Boiling point
117 °C (at 775 Torr)
logP
2.27Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
452-76-6
SMILES
Cc1ccc(F)cc1F
InChIKey
MPXDAIBTYWGBSL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2,4-difluoro-1-methyl-
  • Toluene, 2,4-difluoro-
  • 2,4-Difluorotoluene
  • 2,4-Difluorobenzyl
  • NSC 3465

Work with 2,4-Difluoro-1-methylbenzene

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-1,2-dimethylbenzene452-64-265 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-758 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-758 % similar 1,2,4-Trifluorobenzene367-23-757 % similar 2-Bromo-4-fluorotoluene1422-53-356 % similar 5-Fluoro-2-methylaniline367-29-356 % similar 2-Chloro-4-fluoro-1-methylbenzene452-73-356 % similar 4-Chloro-2-fluoro-1-methylbenzene452-75-556 % similar

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

Same formula

3,5-Difluorotoluene117358-51-7 1,2-Difluoro-3-methylbenzene3828-49-7 1,3-Difluoro-2-methylbenzene443-84-5 1,4-Difluoro-2-methylbenzene452-67-5 (Difluoromethyl)benzene455-31-2

Elsewhere

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