chempirical

3-Fluorotoluene

C7H7FCAS 352-70-5110.13 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

Molecular formula
C7H7F
Molar mass
110.13 g/mol
Exact mass
110.0532 Da
Density
0.9972 g/mL (at 13.4 °C)
Melting point
−87 °C
Boiling point
115 °C
logP
2.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
352-70-5
SMILES
Cc1cccc(F)c1
InChIKey
BTQZKHUEUDPRST-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-fluoro-3-methyl-
  • Toluene, m-fluoro-
  • 1-Fluoro-3-methylbenzene
  • m-Fluorotoluene
  • NSC 8860

Work with 3-Fluorotoluene

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

M-Xylene108-38-363 % similar 1,3-Difluorobenzene372-18-958 % similar 3,5-Difluorotoluene117358-51-757 % similar 3,3′-Dimethylbiphenyl612-75-955 % similar 3-Chlorotoluene108-41-850 % similar 3-Fluorophenol372-20-350 % similar 3,3′-Difluoro-1,1′-biphenyl396-64-550 % similar 3-Methylbiphenyl643-93-650 % similar

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

Same formula

4-Fluorotoluene352-32-9 2-Fluorotoluene95-52-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook