Difluoroacetic anhydride

C₄H₂F₄O₃CAS 401-67-2174.05 g/mol

Open in Covalent MOL file

Acid anhydride Alkyl halide

Properties

Molecular formula: C₄H₂F₄O₃
Molar mass: 174.05 g/mol
Exact mass: 173.9940 Da
logP: 0.59Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
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

401-67-2

SMILES

C(C(=O)OC(=O)C(F)F)(F)F

InChIKey

IYXUFOCLMOXQSL-UHFFFAOYSA-N

InChI

InChI=1S/C4H2F4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H

Weigh it out

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

Work with Difluoroacetic anhydride

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

Methyl difluoroacetate433-53-457 % similar Tetrahydrocyclobuta[1,2-c:3,4-c′]difuran-1,3,4,6-tetrone4415-87-650 % similar Ethyl difluoroacetate454-31-950 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-843 % similar 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-343 % similar Isobutyric anhydride97-72-343 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-339 % similar 3a,4,4a,7a,8,8a-Hexahydro-4,8-etheno-1H,3H-benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone1719-83-139 % similar

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

Elsewhere

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