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

C9H10F2O6 — CID 59602424

IUPAC[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OC1CCOC1=O
InChIInChI=1S/C9H10F2O6/c1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13/h5H,2-4H2,1H3
InChIKeySMICJUJJLJTRCW-UHFFFAOYSA-N
MW252.17 g/mol
LogP0.04
Rot. Bonds4

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

[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate (PubChem CID 59602424) has the molecular formula C9H10F2O6 and a molecular weight of 252.17 g/mol. Its IUPAC name is [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
PubChem CID59602424
Molecular FormulaC9H10F2O6
Molecular Weight252.17 g/mol
Exact Mass252.04
IUPAC Name[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OC1CCOC1=O
InChIInChI=1S/C9H10F2O6/c1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13/h5H,2-4H2,1H3
InChIKeySMICJUJJLJTRCW-UHFFFAOYSA-N
XLogP0.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 50.04
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-difluoropropanoate?
The IUPAC name of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate (CID 59602424) is [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate.
What is the SMILES notation for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?
The canonical SMILES for [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC(=O)OC1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?
The InChIKey is SMICJUJJLJTRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O6/c1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13/h5H,2-4H2,1H3.
What are the key properties of [2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?
[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate has a molecular weight of 252.17 g/mol, XLogP of 0.04, 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-difluoropropanoate is sourced from PubChem (CID 59602424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).