chempirical

1,2,4,5-Tetrafluoro-3-methylbenzene

C7H4F4CAS 5230-78-4164.10 g/mol

Open in Covalent MOL file
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Aryl halide

Properties

Molecular formula
C7H4F4
Molar mass
164.10 g/mol
Exact mass
164.0249 Da
Boiling point
125.5 °C
logP
2.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
5230-78-4
SMILES
Cc1c(F)c(F)cc(F)c1F
InChIKey
POMGTQLCZJZYAM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2,4,5-tetrafluoro-3-methyl-
  • Toluene, 2,3,5,6-tetrafluoro-
  • 2,3,5,6-Tetrafluorotoluene
  • NSC 97004

Work with 1,2,4,5-Tetrafluoro-3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentafluorobenzene363-72-458 % similar 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-155 % similar 2,4,5-Trifluoro-3-methylbenzoic acid112822-85-253 % similar 2-Methyl-3,4,6-trifluoro benzoic acid119916-22-253 % similar 2,3,4,5,6-Pentafluorotoluene771-56-253 % similar 2,3,5,6-Tetrafluoroanisole2324-98-348 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-248 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-448 % similar

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

Same formula

2-Fluorobenzotrifluoride392-85-8 3-Fluorobenzotrifluoride401-80-9 4-Fluorobenzotrifluoride402-44-8

Elsewhere

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