[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate

C8H8F2O6 — CID 58225877

IUPAC[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate
SMILESO=C(COC(=O)C(F)F)OC1CCOC1=O
InChIInChI=1S/C8H8F2O6/c9-6(10)8(13)15-3-5(11)16-4-1-2-14-7(4)12/h4,6H,1-3H2
InChIKeyRIRIRKDEOROANO-UHFFFAOYSA-N
MW238.14 g/mol
LogP-0.35
Rot. Bonds4

About [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate

[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate (PubChem CID 58225877) has the molecular formula C8H8F2O6 and a molecular weight of 238.14 g/mol. Its IUPAC name is [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate
PubChem CID58225877
Molecular FormulaC8H8F2O6
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate
SMILESO=C(COC(=O)C(F)F)OC1CCOC1=O
InChIInChI=1S/C8H8F2O6/c9-6(10)8(13)15-3-5(11)16-4-1-2-14-7(4)12/h4,6H,1-3H2
InChIKeyRIRIRKDEOROANO-UHFFFAOYSA-N
XLogP-0.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate?
The IUPAC name of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate (CID 58225877) is [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate.
What is the SMILES notation for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate?
The canonical SMILES for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate is O=C(COC(=O)C(F)F)OC1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate?
The InChIKey is RIRIRKDEOROANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O6/c9-6(10)8(13)15-3-5(11)16-4-1-2-14-7(4)12/h4,6H,1-3H2.
What are the key properties of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate?
[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate has a molecular weight of 238.14 g/mol, XLogP of -0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate is sourced from PubChem (CID 58225877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).