chempirical

Trifluoromethylmaleic anhydride

C5HF3O3CAS 700-27-6166.06 g/mol

Open in Covalent MOL file
OOOFFF
Acid anhydrideAlkeneAlkyl halide

Properties

Molecular formula
C5HF3O3
Molar mass
166.06 g/mol
Exact mass
165.9878 Da
logP
0.56Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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
700-27-6
SMILES
C1=C(C(=O)OC1=O)C(F)(F)F
InChIKey
YBZPZJWPSHBGOR-UHFFFAOYSA-N
InChI
InChI=1S/C5HF3O3/c6-5(7,8)2-1-3(9)11-4(2)10/h1H

Weigh it out

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Names and synonyms

1 names
  • 2-(Trifluoromethyl)maleic anhydride

Work with Trifluoromethylmaleic 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

3-Bromo-2,5-furandione5926-51-243 % similar Citraconic anhydride616-02-443 % similar Ethyl 4,4,4-trifluoro-3-(trifluoromethyl)crotonate1513-60-636 % similar Phenylmaleic anhydride36122-35-736 % similar Aconitic anhydride6318-55-436 % similar Trifluoroacetic anhydride407-25-036 % similar Ethyl 4,4,4-trifluoro-3-methylbut-2-enoate24490-03-734 % similar Methyl trifluoropyruvate13089-11-733 % similar

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

Elsewhere

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