chempirical

2-Bromo-1,1,2-trifluoroethyl ethyl ether

C4H6BrF3OCAS 380-78-9206.99 g/mol

Open in Covalent MOL file
OFBrFF
Alkyl halideEther

Properties

Molecular formula
C4H6BrF3O
Molar mass
206.99 g/mol
Exact mass
205.9554 Da
logP
2.31Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

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
380-78-9
SMILES
CCOC(C(F)Br)(F)F
InChIKey
JHNFRVXKGJVWFU-UHFFFAOYSA-N
InChI
InChI=1S/C4H6BrF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3

Weigh it out

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

Work with 2-Bromo-1,1,2-trifluoroethyl ethyl ether

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-Ethoxy-1,1,2,2-tetrafluoroethane512-51-658 % similar 2-Chloro-1-ethoxy-1,1,2-trifluoroethane310-71-452 % similar Ethyl 1,1,2,3,3,3-hexafluoropropyl ether380-34-752 % similar Ethyl perfluorobutyl ether163702-05-438 % similar Tetraethoxymethane78-09-136 % similar 1,2-Dibromo-1,1,2-trifluoroethane354-04-136 % similar 1-(1,1,2,2-Tetrafluoroethoxy)butane358-37-235 % similar Ethyl nonafluoroisobutyl ether163702-06-534 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook