2,2-Difluorobutanedioic acid

C₄H₄F₂O₄CAS 665-31-6154.07 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₄F₂O₄
Molar mass: 154.07 g/mol
Exact mass: 154.0078 Da
Melting point: 144–145 °C
logP: 0.18Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage85.7% of notifiers
H319 Causes serious eye irritation14.3% of notifiers

Aggregated from 7 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

665-31-6

SMILES

O=C(O)CC(F)(F)C(=O)O

InChIKey

ZYLFHISLYSHWRH-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F2O4/c5-4(6,3(9)10)1-2(7)8/h1H2,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

5 names

Butanedioic acid, 2,2-difluoro-
Succinic acid, 2,2-difluoro-
α,α-Difluorosuccinic acid
2,2-Difluorosuccinic acid
2,2-Difluorosuccinate

Reactions

2,2-DIFLUOROSUCCINIC ACID (Succinic acid, 2,2-difluoro-)product

Work with 2,2-Difluorobutanedioic 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

Citric acid77-92-954 % similar 2,2-Dimethylsuccinic acid597-43-352 % similar Diammonium citrate3012-65-548 % similar Triammonium citrate3458-72-848 % similar 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-148 % similar Ammonium citrate7632-50-048 % similar 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid1547-36-047 % similar Piperazine citrate144-29-645 % similar

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

Elsewhere

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