3-Fluoropropanoic acid

C3H5FO2CAS 461-56-392.07 g/mol

Open in Covalent MOL file
OHOF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3H5FO2
Molar mass
92.07 g/mol
Exact mass
92.0274 Da
Density
1.247 g/mL (at 20 °C)
Boiling point
78.5–79.5 °C (at 12 Torr)
logP
0.43Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
461-56-3
SMILES
O=C(O)CCF
InChIKey
RPFXMKLCYJSYDE-UHFFFAOYSA-N
InChI
InChI=1S/C3H5FO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

Weigh it out

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

Names and synonyms

4 names
  • Propanoic acid, 3-fluoro-
  • Propionic acid, 3-fluoro-
  • β-Fluoropropionic acid
  • 3-Fluoropropionic acid

Work with 3-Fluoropropanoic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Fluorobutanoic acid462-23-780 % similar Succinic acid110-15-661 % similar Glutaric acid110-94-155 % similar Adipic acid124-04-955 % similar Pimelic acid111-16-052 % similar Sebacic acid111-20-652 % similar Azelaic acid123-99-952 % similar Fluoroacetic acid144-49-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl fluoroacetate453-18-9 2-Fluoropropionic acid6087-13-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook