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

C₅H₅BrClF₃CAS 356-73-0237.44 g/mol

Open in Covalent MOL file

Alkene Alkyl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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+

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook