Fluoromethyl phenyl sulfone

C₇H₇FO₂SCAS 20808-12-2174.19 g/mol

Open in Covalent MOL file

Alkyl halide Sulfone

Properties

Molecular formula: C₇H₇FO₂S
Molar mass: 174.19 g/mol
Exact mass: 174.0151 Da
logP: 1.39Crippen 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
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

20808-12-2

SMILES

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

InChIKey

DENHPZASLKBBHA-UHFFFAOYSA-N

InChI

InChI=1S/C7H7FO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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Work with Fluoromethyl 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

Bis(phenylsulfonyl)methane3406-02-863 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-756 % similar (Ethylsulfonyl)benzene599-70-256 % similar [(Chloromethyl)sulfonyl]benzene7205-98-356 % similar (Phenylsulfonyl)acetonitrile7605-28-952 % similar [(2-Chloroethyl)sulfonyl]benzene938-09-052 % similar Fluoromethyl 2-pyridyl sulfone1365765-53-252 % similar (2-Propen-1-ylsulfonyl)benzene16212-05-850 % similar

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

Same formula

PMSF329-98-6 4-Fluorophenyl methyl sulfone455-15-2 4-Methylbenzenesulfonyl fluoride455-16-3

Elsewhere

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