bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate

C9H6F6O7 — CID 134599708

IUPACbis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate
SMILESO=C1OC(C(=O)OCC(F)(F)F)C(C(=O)OCC(F)(F)F)O1
InChIInChI=1S/C9H6F6O7/c10-8(11,12)1-19-5(16)3-4(22-7(18)21-3)6(17)20-2-9(13,14)15/h3-4H,1-2H2
InChIKeyPLGUUDXPRZQLOO-UHFFFAOYSA-N
MW340.13 g/mol
LogP1.10
Rot. Bonds4

About bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate

bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 134599708) has the molecular formula C9H6F6O7 and a molecular weight of 340.13 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate
PubChem CID134599708
Molecular FormulaC9H6F6O7
Molecular Weight340.13 g/mol
Exact Mass340.00
IUPAC Namebis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate
SMILESO=C1OC(C(=O)OCC(F)(F)F)C(C(=O)OCC(F)(F)F)O1
InChIInChI=1S/C9H6F6O7/c10-8(11,12)1-19-5(16)3-4(22-7(18)21-3)6(17)20-2-9(13,14)15/h3-4H,1-2H2
InChIKeyPLGUUDXPRZQLOO-UHFFFAOYSA-N
XLogP1.10
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate (CID 134599708) is bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate is O=C1OC(C(=O)OCC(F)(F)F)C(C(=O)OCC(F)(F)F)O1.
What is the InChIKey of bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is PLGUUDXPRZQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O7/c10-8(11,12)1-19-5(16)3-4(22-7(18)21-3)6(17)20-2-9(13,14)15/h3-4H,1-2H2.
What are the key properties of bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate?
bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 340.13 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 134599708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).