3-Bromo-4-chloro-2,2,3,4,4-pentafluorobutanoic acid

C₄HBrClF₅O₂CAS 216393-99-6291.40 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄HBrClF₅O₂
Molar mass: 291.40 g/mol
Exact mass: 289.8769 Da
logP: 2.60Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

216393-99-6

SMILES

O=C(O)C(F)(F)C(F)(Br)C(F)(F)Cl

InChIKey

IFQBWLXWJWDSTE-UHFFFAOYSA-N

InChI

InChI=1S/C4HBrClF5O2/c5-3(9,4(6,10)11)2(7,8)1(12)13/h(H,12,13)

Weigh it out

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

Names and synonyms

1 names

Butanoic acid, 3-bromo-4-chloro-2,2,3,4,4-pentafluoro-

Work with 3-Bromo-4-chloro-2,2,3,4,4-pentafluorobutanoic 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

2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-345 % similar Hexafluoroglutaric acid376-73-845 % similar Perfluoropropionic acid422-64-045 % similar Perfluoropentanoic acid2706-90-344 % similar Perfluorooctadecanoic acid16517-11-643 % similar Perfluorohexanoic acid307-24-443 % similar Perfluorododecanoic acid307-55-143 % similar

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

Elsewhere

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