chempirical

Dimethyl dodecafluorosuberate

C10H6F12O4CAS 2062-20-6418.13 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C10H6F12O4
Molar mass
418.13 g/mol
Exact mass
418.0074 Da
logP
3.14Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

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
2062-20-6
SMILES
COC(=O)C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
SLFDDMXEAUAENU-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F12O4/c1-25-3(23)5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(24)26-2/h1-2H3

Weigh it out

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Work with Dimethyl dodecafluorosuberate

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 perfluoroazelate22116-90-1100 % 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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