2,2-Difluoroethylacetate

C₄H₆F₂O₂CAS 1550-44-3124.09 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₆F₂O₂
Molar mass: 124.09 g/mol
Exact mass: 124.0336 Da
logP: 0.81Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1550-44-3

SMILES

CC(=O)OCC(F)F

InChIKey

PFJLHSIZFYNAHH-UHFFFAOYSA-N

InChI

InChI=1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

2,2-Difluoroethyl acetate

Work with 2,2-Difluoroethylacetate

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

Isobutyl acetate110-19-058 % similar Triacetin102-76-156 % similar 2-Ethylbutyl acetate10031-87-554 % similar Propylene glycol diacetate623-84-752 % similar 1,3-Diacetoxy-2-(acetoxymethoxy)propane86357-13-352 % similar Glycol diacetate111-55-750 % similar 2-Methylbutyl acetate624-41-950 % similar Glycerine acetate26446-35-548 % similar

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

Same formula

2,2-Difluorobutyric acid2366-62-3 Ethyl difluoroacetate454-31-9

Elsewhere

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