2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate

C₁₀H₁₀F₄O₃SCAS 786-31-2286.24 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonate ester

Properties

Molecular formula: C₁₀H₁₀F₄O₃S
Molar mass: 286.24 g/mol
Exact mass: 286.0287 Da
logP: 2.60Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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

786-31-2

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(F)F)(F)F

InChIKey

IMDNPHAMGJIKNV-UHFFFAOYSA-N

InChI

InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3

Weigh it out

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Work with 2,2,3,3-Tetrafluoropropyl 4-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

2,2,2-Trifluoroethyl p-toluenesulfonate433-06-768 % similar Ethylene glycol ditosylate6315-52-257 % similar 1,3-Propanediol ditosylate5469-66-954 % similar Ethyl p-toluenesulfonate80-40-054 % similar 2-Methoxyethyl p-toluenesulfonate17178-10-854 % similar 2-Fluoroethyl p-toluenesulfonate383-50-654 % similar Triethylene glycol ditosylate19249-03-753 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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