chempirical

5-Bromo-4-chloro-4,5,5-trifluoropent-2-ene

C5H5BrClF3CAS 356-73-0237.44 g/mol

Open in Covalent MOL file
FFBrFCl
AlkeneAlkyl halide

Properties

Molecular formula
C5H5BrClF3
Molar mass
237.44 g/mol
Exact mass
235.9215 Da
logP
3.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
356-73-0
SMILES
C/C=C/C(C(F)(F)Br)(F)Cl
InChIKey
QQVDBKBIOLTXSK-NSCUHMNNSA-N
InChI
InChI=1S/C5H5BrClF3/c1-2-3-4(7,8)5(6,9)10/h2-3H,1H3/b3-2+

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Work with 5-Bromo-4-chloro-4,5,5-trifluoropent-2-ene

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

1-Bromo-2-chloro-1,1,2-trifluoro-3-butene374-25-454 % similar 1-Bromo-2-chloro-1,1,2,2-tetrafluoroethane354-53-037 % similar 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane354-51-836 % similar Dibromotetrafluoroethane124-73-235 % similar 1,1,1-Trifluoro-2-butene406-39-335 % similar 1,4-Dibromooctafluorobutane335-48-831 % similar

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

Elsewhere

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