chempirical

Methyl 2,2,3,3,3-pentafluoropropanoate

C4H3F5O2CAS 378-75-6178.06 g/mol

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Alkyl halideEster

Properties

Molecular formula
C4H3F5O2
Molar mass
178.06 g/mol
Exact mass
178.0053 Da
Density
1.393 g/mL (at 20 °C)
Boiling point
59.5 °C
logP
1.36Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
378-75-6
SMILES
COC(=O)C(F)(F)C(F)(F)F
InChIKey
JMKJCPUVEMZGEC-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3

Weigh it out

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

Names and synonyms

7 names
  • Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester
  • Propionic acid, pentafluoro-, methyl ester
  • Propanoic acid, pentafluoro-, methyl ester
  • Methyl pentafluoropropionate
  • Methyl perfluoropropionate
  • Methyl 2,2,3,3,3-pentafluoropropionate
  • Methyl pentafluoropropanoate

Work with Methyl 2,2,3,3,3-pentafluoropropanoate

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 2,2,3,3,4,4,4-heptafluorobutanoate356-24-173 % similar Methyl perfluorotetradecanoate203302-99-268 % similar Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate307-79-968 % similar Methyl perfluorooctanoate376-27-268 % similar Pentafluoropropionic anhydride356-42-363 % similar Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate680-05-762 % similar Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate755-73-761 % similar Dimethyl difluoromalonate379-95-356 % similar

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

Elsewhere

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