2,2-Difluoropropanoic acid

C3H4F2O2CAS 373-96-6110.06 g/mol

Open in Covalent MOL file
FFOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3H4F2O2
Molar mass
110.06 g/mol
Exact mass
110.0179 Da
Boiling point
140–141 °C
logP
0.73Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501

Identifiers

CAS number
373-96-6
SMILES
CC(F)(F)C(=O)O
InChIKey
PMWGIVRHUIAIII-UHFFFAOYSA-N
InChI
InChI=1S/C3H4F2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)

Weigh it out

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

Names and synonyms

4 names
  • Propanoic acid, 2,2-difluoro-
  • Propionic acid, 2,2-difluoro-
  • α,α-Difluoropropionic acid
  • 2,2-Difluoropropionic acid

Work with 2,2-Difluoropropanoic 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

Similar compounds

2-Fluoroisobutyric acid63812-15-757 % similar 2,2-Bis(trifluoromethyl)propionic acid45048-36-052 % similar 3,3,3-Trifluoro-2,2-dimethylpropanoic acid889940-13-052 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar Dimethylmalonic acid595-46-050 % similar Pivalic acid75-98-950 % similar Trifluoroacetic acid76-05-150 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl difluoroacetate433-53-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook