chempirical

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

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

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

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 difluoroacetate433-53-452 % similar Methyl 3,3-difluorocyclobutanecarboxylate1234616-13-747 % similar Methyl isobutyrate547-63-743 % similar Dimethyl methylmalonate609-02-943 % similar Methyl cyclohexanecarboxylate4630-82-442 % similar Methyl dichloroacetate116-54-141 % similar Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-741 % similar Methyl cyclopropanecarboxylate2868-37-341 % similar

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

Elsewhere

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