1-[2-[2-(Bromodifluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane

C₉BrF₁₉O₃CAS 330562-47-5596.97 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉BrF₁₉O₃
Molar mass: 596.97 g/mol
Exact mass: 595.8727 Da
logP: 6.78Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 10

Identifiers

CAS number

330562-47-5

SMILES

FC(F)(Br)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

IKLGPUSJUIHNMO-UHFFFAOYSA-N

InChI

InChI=1S/C9BrF19O3/c10-9(28,29)32-8(26,27)7(24,25)31-6(22,23)5(20,21)30-4(18,19)2(13,14)1(11,12)3(15,16)17

Weigh it out

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

Names and synonyms

3 names

Butane, 1-[2-[2-(bromodifluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluoro-
Perfluoro-2,5,8-trioxadodecyl bromide
1-Bromo-perfluoro-2,5,8-trioxadodecane

Work with 1-[2-[2-(Bromodifluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane

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-[2-(Bromodifluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4,4-nonafluorobutane330562-46-4100 % similar Fc-75335-36-454 % similar Methyl nonafluorobutyl ether163702-07-646 % similar Ethyl perfluorobutyl ether163702-05-442 % similar Perfluorobutane355-25-941 % similar Perfluorooctane307-34-639 % similar Perfluorododecane307-59-539 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontafluorotetradecane307-62-039 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook