chempirical

Fluoromethyl 2-pyridyl sulfone

C6H6FNO2SCAS 1365765-53-2175.18 g/mol

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NSOOF
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

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

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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-Difluoromethanesulfonylpyridine1219454-89-349 % similar 2-[(Tribromomethyl)sulfonyl]pyridine59626-33-444 % similar 2-Pyridineethanesulfonic acid68922-18-936 % similar 2-(Trifluoromethyl)pyridine368-48-935 % similar 2-Fluoropyridine372-48-534 % similar Bis(phenylsulfonyl)methane3406-02-833 % similar 2,2′-Bipyridine366-18-733 % similar 1,3-Di(2-pyridyl)-1,3-propanedione10198-89-732 % similar

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

Same formula

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

Elsewhere

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