chempirical

Pentafluorophenacyl bromide

C8H2BrF5OCAS 5122-16-7289.00 g/mol

Open in Covalent MOL file
OFFFFFBr
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H2BrF5O
Molar mass
289.00 g/mol
Exact mass
287.9209 Da
logP
2.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
5122-16-7
SMILES
C(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Br
InChIKey
CIYHGZNFDGHGDK-UHFFFAOYSA-N
InChI
InChI=1S/C8H2BrF5O/c9-1-2(15)3-4(10)6(12)8(14)7(13)5(3)11/h1H2

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Names and synonyms

1 names
  • 2-Bromo-1-(pentafluorophenyl)ethan-1-one

Work with Pentafluorophenacyl bromide

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

2,6-Difluorophenacyl bromide56159-89-853 % similar 4-Fluorophenacyl bromide403-29-245 % similar Decafluorobenzophenone853-39-444 % similar Ethyl (pentafluorobenzoyl)acetate3516-87-843 % similar 2-Bromo-1-(2-fluorophenyl)ethanone655-15-242 % similar 2,6-Dichloro-4-(trifluoromethyl)phenacyl bromide175205-89-742 % similar 2-Bromo-1-(3,4-difluorophenyl)ethan-1-one40706-98-741 % similar 3-Fluorophenacyl bromide53631-18-841 % similar

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

Elsewhere

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