bis(2,4,6-trifluorophenyl) oxalate

C14H4F6O4 — CID 23448587

IUPACbis(2,4,6-trifluorophenyl) oxalate
SMILESO=C(Oc1c(F)cc(F)cc1F)C(=O)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C14H4F6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H
InChIKeyZKTXWEOGJKXZRT-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.03
Rot. Bonds2

About bis(2,4,6-trifluorophenyl) oxalate

bis(2,4,6-trifluorophenyl) oxalate (PubChem CID 23448587) has the molecular formula C14H4F6O4 and a molecular weight of 350.17 g/mol. Its IUPAC name is bis(2,4,6-trifluorophenyl) oxalate.

Molecular Properties

Compound Namebis(2,4,6-trifluorophenyl) oxalate
PubChem CID23448587
Molecular FormulaC14H4F6O4
Molecular Weight350.17 g/mol
Exact Mass350.00
IUPAC Namebis(2,4,6-trifluorophenyl) oxalate
SMILESO=C(Oc1c(F)cc(F)cc1F)C(=O)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C14H4F6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H
InChIKeyZKTXWEOGJKXZRT-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trifluorophenyl) oxalate?
The IUPAC name of bis(2,4,6-trifluorophenyl) oxalate (CID 23448587) is bis(2,4,6-trifluorophenyl) oxalate.
What is the SMILES notation for bis(2,4,6-trifluorophenyl) oxalate?
The canonical SMILES for bis(2,4,6-trifluorophenyl) oxalate is O=C(Oc1c(F)cc(F)cc1F)C(=O)Oc1c(F)cc(F)cc1F.
What is the InChIKey of bis(2,4,6-trifluorophenyl) oxalate?
The InChIKey is ZKTXWEOGJKXZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H.
What are the key properties of bis(2,4,6-trifluorophenyl) oxalate?
bis(2,4,6-trifluorophenyl) oxalate has a molecular weight of 350.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trifluorophenyl) oxalate is sourced from PubChem (CID 23448587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).