chempirical

Dimethyl tetrafluorosuccinate

C6H6F4O4CAS 356-36-5218.10 g/mol

Open in Covalent MOL file
OOOOFFFF
Alkyl halideEster

Properties

Molecular formula
C6H6F4O4
Molar mass
218.10 g/mol
Exact mass
218.0202 Da
logP
0.60Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

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
356-36-5
SMILES
COC(=O)C(C(C(=O)OC)(F)F)(F)F
InChIKey
RMXAYQBUNVSEPG-UHFFFAOYSA-N
InChI
InChI=1S/C6H6F4O4/c1-13-3(11)5(7,8)6(9,10)4(12)14-2/h1-2H3

Weigh it out

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

Work with Dimethyl tetrafluorosuccinate

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 hexafluoroglutarate1513-62-877 % similar Dimethyl perfluorohexanedioate3107-98-077 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-677 % similar Dimethyl dodecafluorosuberate2062-20-674 % similar Dimethyl perfluoroazelate22116-90-174 % similar Dimethyl perfluorosebacate4590-24-374 % similar Dimethyl perfluoro-1,10-decanedicarboxylate84750-88-974 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-168 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook