Perfluoropropionic acid

C3HF5O2CAS 422-64-0164.03 g/mol

Open in Covalent MOL file
OHOFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3HF5O2
Molar mass
164.03 g/mol
Exact mass
163.9897 Da
Density
1.561 g/mL (at 20 °C)
Boiling point
96.5 °C
logP
1.27Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 50 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, P317, P321, P363, P405, P501

Identifiers

CAS number
422-64-0
SMILES
O=C(O)C(F)(F)C(F)(F)F
InChIKey
LRMSQVBRUNSOJL-UHFFFAOYSA-N
InChI
InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)

Weigh it out

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

Names and synonyms

8 names
  • Propanoic acid, 2,2,3,3,3-pentafluoro-
  • Propionic acid, pentafluoro-
  • Propanoic acid, pentafluoro-
  • 2,2,3,3,3-Pentafluoropropanoic acid
  • Pentafluoropropionic acid
  • Pentafluoropropanoic acid
  • Perfluoropropanoic acid
  • 2,2,3,3,3-Pentafluoropropionic acid

Work with Perfluoropropionic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium pentafluoropropionate378-77-8Salt

Similar compounds

2,2,3,3-Tetrafluorobutanedioic acid377-38-874 % similar Perfluorobutanoic acid375-22-470 % similar Perfluoropentanoic acid2706-90-367 % similar Perfluorooctadecanoic acid16517-11-664 % similar Perfluorohexanoic acid307-24-464 % similar Perfluorododecanoic acid307-55-164 % similar Perfluorooctanoic acid335-67-164 % similar Perfluorodecanoic acid335-76-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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