2,2-Difluorobutyric acid

C₄H₆F₂O₂CAS 2366-62-3124.09 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed94.7% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage37.3% of notifiers

Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook