chempirical

4-Fluorophenyl methyl sulfone

C7H7FO2SCAS 455-15-2174.19 g/mol

Open in Covalent MOL file
SOOF
Aryl halideSulfone

Properties

Molecular formula
C7H7FO2S
Molar mass
174.19 g/mol
Exact mass
174.0151 Da
Melting point
77–78 °C
logP
1.23Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
455-15-2
SMILES
CS(=O)(=O)c1ccc(F)cc1
InChIKey
DPJHZJGAGIWXTD-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

Weigh it out

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Names and synonyms

11 names
  • Benzene, 1-fluoro-4-(methylsulfonyl)-
  • Sulfone, p-fluorophenyl methyl
  • 1-Fluoro-4-(methylsulfonyl)benzene
  • 4-(Methylsulfonyl)fluorobenzene
  • Methyl 4-fluorophenyl sulfone
  • 1-Fluoro-4-methylsulfonylbenzene
  • p-Fluorophenyl methyl sulfone
  • 4-Methylsulfonyl-1-fluorobenzene
  • NSC 226256
  • 1-Fluoro-4-methanesulfonylbenzene
  • 4-Fluoro-1-(methylsulfonyl)benzene

Work with 4-Fluorophenyl methyl sulfone

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

Methyl phenyl sulfone3112-85-456 % similar 4,4′-Difluorodiphenyl sulfone383-29-956 % similar 4-(Methylsulfonyl)phenol14763-60-156 % similar 4-Bromophenyl methyl sulfone3466-32-856 % similar 4-(Methylsulfonyl)aniline5470-49-556 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-756 % similar P-(Methylsulfonyl)phenylhydrazine877-66-752 % similar 4-Fluorobenzenesulfonyl chloride349-88-250 % similar

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

Same formula

Pmsf329-98-6 4-Methylbenzenesulfonyl fluoride455-16-3

Elsewhere

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