Ethyl 2-bromo-2,3,3,3-tetrafluoropropionate

C5H5BrF4O2CAS 10186-73-9252.99 g/mol

Open in Covalent MOL file
OOFFFFBr
Alkyl halideEster

Properties

Molecular formula
C5H5BrF4O2
Molar mass
252.99 g/mol
Exact mass
251.9409 Da
logP
2.17Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
10186-73-9
SMILES
CCOC(=O)C(C(F)(F)F)(F)Br
InChIKey
UFRGKZCBWHOBAP-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BrF4O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-2,3,3,3-tetrafluoropropionic acid ethyl ester

Work with Ethyl 2-bromo-2,3,3,3-tetrafluoropropionate

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

Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-359 % similar Ethyl 2,2-dibromo-2-fluoroacetate565-53-759 % similar Ethyl bromodifluoroacetate667-27-659 % similar Ethyl perfluoropentanoate424-36-257 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-756 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-556 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-056 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook