Trifluoromethylmaleic anhydride

C₅HF₃O₃CAS 700-27-6166.06 g/mol

Open in Covalent MOL file

Acid anhydride Alkene Alkyl 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

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

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

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 anhydrides616-02-443 % 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

PubChem CAS Common Chemistry NIST WebBook