chempirical

Bromopentafluoroacetone

C3BrF5OCAS 815-23-6226.93 g/mol

Open in Covalent MOL file
OFFFFFBr
Alkyl halideKetone

Properties

Molecular formula
C3BrF5O
Molar mass
226.93 g/mol
Exact mass
225.9053 Da
logP
2.11Crippen 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
815-23-6
SMILES
C(=O)(C(F)(F)F)C(F)(F)Br
InChIKey
IYDJQZOFWOSTFO-UHFFFAOYSA-N
InChI
InChI=1S/C3BrF5O/c4-2(5,6)1(10)3(7,8)9

Weigh it out

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Work with Bromopentafluoroacetone

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

Hexafluoroacetone684-16-258 % similar Hexafluoroacetone trihydrate34202-69-250 % similar Bromodifluoroacetyl bromide1796-12-946 % similar Bromo(difluoro)acetyl fluoride38126-07-746 % similar 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-946 % similar Bromodifluoroacetamide2169-67-744 % similar 2-Bromo-2,2-difluoroacetic acid354-08-544 % similar Bromodifluoroacetyl chloride3832-48-244 % similar

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

Elsewhere

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