chempirical

2-Bromo-2,3,3,3-tetrafluoropropanoyl chloride

C3BrClF4OCAS 6066-45-1243.38 g/mol

Open in Covalent MOL file
OFFFFBrCl
Acyl halideAlkyl halide

Properties

Molecular formula
C3BrClF4O
Molar mass
243.38 g/mol
Exact mass
241.8757 Da
logP
2.37Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 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
6066-45-1
SMILES
C(=O)(C(C(F)(F)F)(F)Br)Cl
InChIKey
LYEISECDEKRQHL-UHFFFAOYSA-N
InChI
InChI=1S/C3BrClF4O/c4-2(6,1(5)10)3(7,8)9

Weigh it out

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Work with 2-Bromo-2,3,3,3-tetrafluoropropanoyl chloride

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

Bromodifluoroacetyl chloride3832-48-250 % similar Perfluorooctanoyl chloride335-64-847 % similar Perfluorononanoyl chloride52447-23-147 % similar Heptafluorobutyryl chloride375-16-645 % similar Trifluoroacetyl chloride354-32-544 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-044 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-542 % similar Ethyl 2-bromo-2,3,3,3-tetrafluoropropionate10186-73-941 % similar

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

Elsewhere

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