1-Fluoro-2-[(trifluoromethyl)sulfonyl]benzene

C7H4F4O2SCAS 2358-41-0228.16 g/mol

Open in Covalent MOL file
FSOOFFF
Alkyl halideAryl halideSulfone

Properties

Molecular formula
C7H4F4O2S
Molar mass
228.16 g/mol
Exact mass
227.9868 Da
logP
2.12Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2358-41-0
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)C(F)(F)F
InChIKey
NXZFXDLCZKKNCX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O2S/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11/h1-4H

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Names and synonyms

1 names
  • 1-Fluoro-2-(trifluoromethylsulfonyl)benzene

Work with 1-Fluoro-2-[(trifluoromethyl)sulfonyl]benzene

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-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide1027345-08-953 % similar 2-Fluorobenzenesulfonyl chloride2905-21-750 % similar 2-Fluorobenzenesulfonamide30058-40-350 % similar 4-(Trifluoromethylsulphonyl)benzonitrile312-21-041 % similar 4-Aminophenyl trifluoromethyl sulphone473-27-840 % similar 3-((Trifluoromethyl)sulfonyl)aniline426-59-539 % similar 2,2'-Difluoro-1,1'-biphenyl388-82-939 % similar 1,2-Difluorobenzene367-11-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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