Methyl 3,3-difluoro-2-(trifluoromethyl)acrylate

C5H3F5O2CAS 685-09-6190.07 g/mol

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AlkeneAlkyl halideEsterVinyl halide

Properties

Molecular formula
C5H3F5O2
Molar mass
190.07 g/mol
Exact mass
190.0053 Da
logP
1.87Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
685-09-6
SMILES
COC(=O)C(=C(F)F)C(F)(F)F
InChIKey
MRJFAPJDIVTPJG-UHFFFAOYSA-N
InChI
InChI=1S/C5H3F5O2/c1-12-4(11)2(3(6)7)5(8,9)10/h1H3

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Names and synonyms

3 names
  • 2-Propenoic acid, 3,3-difluoro-2-(trifluoromethyl)-, methyl ester
  • Acrylic acid, 3,3-difluoro-2-(trifluoromethyl)-, methyl ester
  • Methyl perfluoromethacrylate

Work with Methyl 3,3-difluoro-2-(trifluoromethyl)acrylate

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 trifluoropyruvate13089-11-755 % similar Methyl trifluoroacetate431-47-045 % similar Dimethyl oxalate553-90-244 % similar Methyl 2-fluoroacrylate2343-89-742 % similar Methyl 4,4,4-trifluoroacetoacetate83643-84-937 % similar Methyl pyruvate600-22-637 % similar Dimethyl tetrafluorosuccinate356-36-535 % similar Dimethyl difluoromalonate379-95-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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