2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate

C₁₁H₁₃F₃O₅SCAS 160969-03-9314.28 g/mol

Open in Covalent MOL file

Alkyl halide Ether Sulfonate ester

Properties

Molecular formula: C₁₁H₁₃F₃O₅S
Molar mass: 314.28 g/mol
Exact mass: 314.0436 Da
logP: 1.98Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

160969-03-9

SMILES

CS(=O)(=O)OCCOc1ccccc1OCC(F)(F)F

InChIKey

HOJMCBMXHWZNKX-UHFFFAOYSA-N

InChI

InChI=1S/C11H13F3O5S/c1-20(15,16)19-7-6-17-9-4-2-3-5-10(9)18-8-11(12,13)14/h2-5H,6-8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, 1-methanesulfonate
Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, methanesulfonate
2-[2-(2,2,2-Trifluoroethyloxy)phenoxy]ethyl methanesulfonate

Work with 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate

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 methanesulfonate25236-64-051 % similar 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile175204-04-344 % similar 2,6-Bis(2,2,2-trifluoroethoxy)benzonitrile93624-57-843 % similar Benzodioxan493-09-440 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-639 % similar 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile175204-13-437 % similar Benzo-18-crown-614098-24-937 % similar Benzo-15-crown-514098-44-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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