Methyl 2,3,3,3-tetrafluoropropanoate

C4H4F4O2CAS 382-93-4160.07 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C4H4F4O2
Molar mass
160.07 g/mol
Exact mass
160.0147 Da
Density
1.353 g/mL (at 20 °C)
Boiling point
96 °C
logP
1.06Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
382-93-4
SMILES
COC(=O)C(F)C(F)(F)F
InChIKey
YPGCUXBNTDXTKF-UHFFFAOYSA-N
InChI
InChI=1S/C4H4F4O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3

Weigh it out

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Names and synonyms

4 names
  • Propanoic acid, 2,3,3,3-tetrafluoro-, methyl ester
  • Propionic acid, 2,3,3,3-tetrafluoro-, methyl ester
  • 2,3,3,3-Tetrafluoropropionic acid methyl ester
  • Methyl 2,3,3,3-tetrafluoropropionate

Work with Methyl 2,3,3,3-tetrafluoropropanoate

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

Methyl 3,3,3-trifluoroalaninate27240-44-457 % similar Dimethyl fluoromalonate344-14-952 % similar Methyl difluoroacetate433-53-452 % similar Methyl 3,3-difluorocyclobutanecarboxylate1234616-13-747 % similar 2,3,3,3-Tetrafluoropropionamide1647-57-043 % similar Methyl cyclopentanecarboxylate4630-80-243 % similar Methyl 2-formyl-3-oxopropanoate50427-65-143 % similar Cyclobutanecarboxylic acid methyl ester765-85-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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