Fluoromethyl 2-pyridyl sulfone

C6H6FNO2SCAS 1365765-53-2175.18 g/mol

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Alkyl halideSulfone

Properties

Molecular formula
C6H6FNO2S
Molar mass
175.18 g/mol
Exact mass
175.0103 Da
logP
0.78Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1365765-53-2
SMILES
C1=CC=NC(=C1)S(=O)(=O)CF
InChIKey
KCKYDPXAKVBJHE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6FNO2S/c7-5-11(9,10)6-3-1-2-4-8-6/h1-4H,5H2

Weigh it out

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Work with Fluoromethyl 2-pyridyl 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-Pyridinesulfonylacetonitrile170449-34-059 % similar Pyridine-2-sulfonyl fluoride878376-35-353 % similar Fluoromethyl phenyl sulfone20808-12-252 % similar 2-Difluoromethanesulfonylpyridine1219454-89-349 % similar Pyridine-2-sulfonic acid15103-48-748 % similar Pyridine-2-sulfonyl chloride66715-65-948 % similar 2-Pyridyl tribromomethyl sulfone59626-33-444 % similar 2-Pyridineethanesulfonic acid68922-18-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluorobenzenesulfonamide1524-40-9 2-Fluorobenzenesulfonamide30058-40-3 4-Fluorobenzenesulfonamide402-46-0

Elsewhere

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