chempirical

2,2-Difluorobutyric acid

C4H6F2O2CAS 2366-62-3124.09 g/mol

Open in Covalent MOL file
OOHFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H6F2O2
Molar mass
124.09 g/mol
Exact mass
124.0336 Da
logP
1.12Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2366-62-3
SMILES
CCC(C(=O)O)(F)F
InChIKey
SBSKRVZFWQPJID-UHFFFAOYSA-N
InChI
InChI=1S/C4H6F2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)

Weigh it out

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

Work with 2,2-Difluorobutyric 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

2,2-Diethylpropanedioic acid510-20-363 % similar 2,2-Difluorobutanedioic acid665-31-654 % similar 2,2-Dimethylbutanoic acid595-37-952 % similar 2,2-Bis(hydroxymethyl)butanoic acid10097-02-648 % similar (±)-2-Hydroxy-2-methylbutyric acid3739-30-848 % similar D-Isovaline3059-97-047 % similar DL-Isovaline465-58-747 % similar Isovaline595-39-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2-Difluoroethylacetate1550-44-3 Ethyl difluoroacetate454-31-9

Elsewhere

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