1-Bromo-3,3,4,4,4-pentafluorobutan-2-one

C₄H₂BrF₅OCAS 92737-01-4240.96 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₄H₂BrF₅O
Molar mass: 240.96 g/mol
Exact mass: 239.9209 Da
logP: 2.15Crippen estimate
Polar surface area: 17.1 Å²
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

92737-01-4

SMILES

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

InChIKey

HHGIRNBWKHUFNA-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrF5O/c5-1-2(11)3(6,7)4(8,9)10/h1H2

Weigh it out

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

Names and synonyms

1 names

1-Bromo-3,3,4,4,4-pentafluoro-2-butanone

Work with 1-Bromo-3,3,4,4,4-pentafluorobutan-2-one

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-Bromo-1,1,1-trifluoro-2-propanone431-35-656 % similar Bromopinacolone5469-26-146 % similar Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate663-35-443 % similar 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione20583-66-839 % similar Pentafluoropropionic anhydride356-42-339 % similar Perfluoropropionic acid422-64-039 % similar Adamantyl bromomethyl ketone5122-82-739 % similar 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-338 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook