chempirical

Ethyl difluoroacetate

C4H6F2O2CAS 454-31-9124.09 g/mol

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Alkyl halideEster

Properties

Molecular formula
C4H6F2O2
Molar mass
124.09 g/mol
Exact mass
124.0336 Da
Density
1.244 g/mL (at 20 °C)
Boiling point
100 °C
logP
0.81Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
454-31-9
SMILES
CCOC(=O)C(F)F
InChIKey
GZKHDVAKKLTJPO-UHFFFAOYSA-N
InChI
InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

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

Names and synonyms

6 names
  • Acetic acid, 2,2-difluoro-, ethyl ester
  • Acetic acid, difluoro-, ethyl ester
  • Difluoroacetic acid ethyl ester
  • Ethyl 2,2-difluoroacetate
  • 2,2-Difluoroacetic acid ethyl ester
  • α,α-Difluoroacetic acid ethyl ester

Work with Ethyl difluoroacetate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl fluoromalonate685-88-168 % similar Ethyl 2-fluoropropionate127306-59-663 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-363 % similar Ethyl bromofluoroacetate401-55-861 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar Diethyl methylmalonate609-08-558 % similar Ethyl isobutyrate97-62-158 % similar Ethyl 2-fluoro-3-oxobutanoate1522-41-457 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook