2,2-Difluoroethylacetate

C4H6F2O2CAS 1550-44-3124.09 g/mol

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OOFF
Alkyl halideEster

Properties

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

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook