Difluoromethyl phenyl sulfone

C₇H₆F₂O₂SCAS 1535-65-5192.18 g/mol

Open in Covalent MOL file

Alkyl halide Sulfone

Properties

Molecular formula: C₇H₆F₂O₂S
Molar mass: 192.18 g/mol
Exact mass: 192.0057 Da
logP: 1.68Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

1535-65-5

SMILES

C1=CC=C(C=C1)S(=O)(=O)C(F)F

InChIKey

LRHDNAVPELLXDL-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2O2S/c8-7(9)12(10,11)6-4-2-1-3-5-6/h1-5,7H

Weigh it out

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

Names and synonyms

1 names

Difluoromethanesulfonylbenzene

Work with Difluoromethyl phenyl 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

2-Difluoromethanesulfonylpyridine1219454-89-352 % similar Benzenesulfonyl fluoride368-43-444 % similar Diphenyl sulfone127-63-944 % similar N-Fluorobenzenesulfonimide133745-75-240 % similar Fluoromethyl phenyl sulfone20808-12-240 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-439 % similar Methyl phenyl sulfone3112-85-439 % similar Bis(phenylsulfonyl)methane3406-02-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Difluoro-4-(methylsulfonyl)benzene424792-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook