chempirical

Bis(pentafluorophenyl) oxalate

C14F10O4CAS 16536-48-4422.13 g/mol

Open in Covalent MOL file
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Aryl halideEster

Properties

Molecular formula
C14F10O4
Molar mass
422.13 g/mol
Exact mass
421.9637 Da
logP
3.59Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

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
16536-48-4
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChIKey
YMTUYHWOWDFXOX-UHFFFAOYSA-N
InChI
InChI=1S/C14F10O4/c15-1-3(17)7(21)11(8(22)4(1)18)27-13(25)14(26)28-12-9(23)5(19)2(16)6(20)10(12)24

Weigh it out

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Work with Bis(pentafluorophenyl) oxalate

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

Dipentafluorophenylcarbonate59483-84-064 % similar Pentafluorophenyl acetate19220-93-056 % similar Pentafluorophenyl trifluoroacetate14533-84-752 % similar (2,3,4,5,6-Pentafluorophenyl) prop-2-enoate71195-85-250 % similar 2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid14892-14-940 % similar 2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride55502-53-940 % similar Tetrafluorophthalic anhydride652-12-038 % similar Pentafluoromethoxybenzene389-40-238 % similar

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

Elsewhere

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