chempirical

Dimethyl perfluorosebacate

C12H6F16O4CAS 4590-24-3518.15 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C12H6F16O4
Molar mass
518.15 g/mol
Exact mass
518.0011 Da
logP
4.41Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
9

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
4590-24-3
SMILES
COC(=O)C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
VZHNQOSVLFDCLH-UHFFFAOYSA-N
InChI
InChI=1S/C12H6F16O4/c1-31-3(29)5(13,14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)4(30)32-2/h1-2H3

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Names and synonyms

1 names
  • Dimethyl hexadecafluorosebacate

Work with Dimethyl perfluorosebacate

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 perfluoroazelate22116-90-1100 % 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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