chempirical

Dimethyl perfluorohexanedioate

C8H6F8O4CAS 3107-98-0318.12 g/mol

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Alkyl halideEster

Properties

Molecular formula
C8H6F8O4
Molar mass
318.12 g/mol
Exact mass
318.0138 Da
logP
1.87Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

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
3107-98-0
SMILES
COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F
InChIKey
XPXVIIILXUOEQA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F8O4/c1-19-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(18)20-2/h1-2H3

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Names and synonyms

1 names
  • Dimethyl octafluoroadipate

Work with Dimethyl perfluorohexanedioate

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 dodecafluorosuberate2062-20-695 % similar Dimethyl perfluoroazelate22116-90-195 % similar Dimethyl perfluorosebacate4590-24-395 % similar Dimethyl perfluoro-1,10-decanedicarboxylate84750-88-995 % similar Dimethyl hexafluoroglutarate1513-62-891 % similar Methyl perfluoroheptanoate14312-89-181 % similar Methyl perfluorohexadecanoate165457-57-881 % similar Methyl perfluorotetradecanoate203302-99-281 % similar

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

Elsewhere

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