Difluoroacetic acid
Properties
- Molecular formula
- C2H2F2O2
- Molar mass
- 96.03 g/mol
- Exact mass
- 96.0023 Da
- Density
- 1.53 g/mL (at 20 °C)
- Melting point
- −1 °C
- Boiling point
- 133 °C
- logP
- 0.34Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
381-73-7SMILES
O=C(O)C(F)FInChIKey
PBWZKZYHONABLN-UHFFFAOYSA-NInChI
InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Acetic acid, 2,2-difluoro-
- Acetic acid, difluoro-
- 2,2-Difluoroacetic acid
Work with Difluoroacetic 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
1,2,3,4,5,6-Cyclohexanehexacarboxylic acid2216-84-450 % similar
(1S,2S)-2-Fluorocyclopropanecarboxylic acid105919-34-446 % similar
(1R,2R)-2-Fluorocyclopropanecarboxylic acid127199-13-746 % similar
(1S,2S)-2-Fluorocyclopropanecarboxylic acid127199-14-846 % similar
trans-2-Fluoro-cyclopropanecarboxylic acid130340-04-446 % similar
Dl-tartaric acid133-37-945 % similar
D-Tartaric acid147-71-745 % similar
2,3-Dihydroxybutanedioic acid526-83-045 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds