2-Fluoroethyl p-toluenesulfonate

C₉H₁₁FO₃SCAS 383-50-6218.24 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonate ester

Properties

Molecular formula: C₉H₁₁FO₃S
Molar mass: 218.24 g/mol
Exact mass: 218.0413 Da
logP: 1.67Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from the 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

383-50-6

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCF

InChIKey

XNRDLSNSMTUXBV-UHFFFAOYSA-N

InChI

InChI=1S/C9H11FO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3

Weigh it out

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Names and synonyms

1 names

2-Fluoroethyl 4-methylbenzenesulfonate

Work with 2-Fluoroethyl p-toluenesulfonate

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

Ethylene glycol ditosylate6315-52-277 % similar 1,3-Propanediol ditosylate5469-66-972 % similar Triethylene glycol ditosylate19249-03-770 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-470 % similar Propyl 4-methylbenzenesulfonate599-91-768 % similar 2-Methoxyethyl p-toluenesulfonate17178-10-866 % similar 2-Chloroethyl p-toluenesulfonate80-41-166 % similar Butyl p-toluenesulfonate778-28-964 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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