2,2,2-Trifluoroethyl acetate

C₄H₅F₃O₂CAS 406-95-1142.08 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₅F₃O₂
Molar mass: 142.08 g/mol
Exact mass: 142.0242 Da
logP: 1.11Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation12.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

406-95-1

SMILES

CC(=O)OCC(F)(F)F

InChIKey

ZOWSJJBOQDKOHI-UHFFFAOYSA-N

InChI

InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3

Weigh it out

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

Work with 2,2,2-Trifluoroethyl acetate

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

Pentaerythritol tetraacetate597-71-763 % similar 2,2,2-Trifluoroethyl methacrylate352-87-452 % similar Glycol diacetate111-55-750 % similar Bis(2,2,2-trifluoroethyl) maleate352-28-350 % similar 2,2,2-Trifluoroethyl trifluoroacetate407-38-550 % similar 1,3-Diacetoxyacetone6946-10-750 % similar 2,2,2-Trifluoroethyl butanoate371-27-748 % similar Ethyl acetate141-78-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl trifluoroacetate383-63-1 4,4,4-Trifluorobutanoic acid406-93-9

Elsewhere

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