2,2-Difluoropropanoic acid

C₃H₄F₂O₂CAS 373-96-6110.06 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

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 Trifluoroacetic acid76-05-150 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-448 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid374-35-648 % similar 1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-446 % similar 2-Hydroxyisobutyric acid594-61-646 % 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