chempirical

Dimethyl perfluoroazelate

C11H6F14O4CAS 22116-90-1468.14 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C11H6F14O4
Molar mass
468.14 g/mol
Exact mass
468.0043 Da
logP
3.78Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
8

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
22116-90-1
SMILES
COC(=O)C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
HJMVOOGDJCOYSL-UHFFFAOYSA-N
InChI
InChI=1S/C11H6F14O4/c1-28-3(26)5(12,13)7(16,17)9(20,21)11(24,25)10(22,23)8(18,19)6(14,15)4(27)29-2/h1-2H3

Weigh it out

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

Work with Dimethyl perfluoroazelate

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

Dimethyl dodecafluorosuberate2062-20-6100 % similar Dimethyl perfluorosebacate4590-24-3100 % similar Dimethyl perfluoro-1,10-decanedicarboxylate84750-88-9100 % similar Dimethyl perfluorohexanedioate3107-98-095 % similar Dimethyl hexafluoroglutarate1513-62-887 % similar Methyl perfluoroheptanoate14312-89-185 % similar Methyl perfluorohexadecanoate165457-57-885 % similar Methyl perfluorotetradecanoate203302-99-285 % similar

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

Elsewhere

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