2H-Hexafluoro(2-methylpropanoic acid)

C₄H₂F₆O₂CAS 564-10-3196.05 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₂F₆O₂
Molar mass: 196.05 g/mol
Exact mass: 195.9959 Da
logP: 1.81Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

564-10-3

SMILES

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

InChIKey

RAEAYTICAPHWJW-UHFFFAOYSA-N

InChI

InChI=1S/C4H2F6O2/c5-3(6,7)1(2(11)12)4(8,9)10/h1H,(H,11,12)

Weigh it out

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Names and synonyms

1 names

3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid

Work with 2H-Hexafluoro(2-methylpropanoic 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

3,3,3-Trifluorolactic acid684-07-158 % similar 3,3,3-Trifluoroalanine17463-43-356 % similar 4,4,4,4′,4′,4′-Hexafluorovaline16063-80-252 % similar 3-Hydroxy-2-(trifluoromethyl)propenoic acid382-43-452 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-350 % similar 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-450 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid95233-30-050 % similar 3,3-Difluorocyclobutanecarboxylic acid107496-54-844 % similar

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

Same formula

2,2,2-Trifluoroethyl trifluoroacetate407-38-5

Elsewhere

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