(5-oxooxolan-3-yl) 2,2-difluoropropanoate

C7H8F2O4 — CID 59602405

IUPAC(5-oxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1COC(=O)C1
InChIInChI=1S/C7H8F2O4/c1-7(8,9)6(11)13-4-2-5(10)12-3-4/h4H,2-3H2,1H3
InChIKeyCBVNNJHDBYUCCS-UHFFFAOYSA-N
MW194.13 g/mol
LogP0.50
Rot. Bonds2

About (5-oxooxolan-3-yl) 2,2-difluoropropanoate

(5-oxooxolan-3-yl) 2,2-difluoropropanoate (PubChem CID 59602405) has the molecular formula C7H8F2O4 and a molecular weight of 194.13 g/mol. Its IUPAC name is (5-oxooxolan-3-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(5-oxooxolan-3-yl) 2,2-difluoropropanoate
PubChem CID59602405
Molecular FormulaC7H8F2O4
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name(5-oxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1COC(=O)C1
InChIInChI=1S/C7H8F2O4/c1-7(8,9)6(11)13-4-2-5(10)12-3-4/h4H,2-3H2,1H3
InChIKeyCBVNNJHDBYUCCS-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-3-yl) 2,2-difluoropropanoate?
The IUPAC name of (5-oxooxolan-3-yl) 2,2-difluoropropanoate (CID 59602405) is (5-oxooxolan-3-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (5-oxooxolan-3-yl) 2,2-difluoropropanoate?
The canonical SMILES for (5-oxooxolan-3-yl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1COC(=O)C1.
What is the InChIKey of (5-oxooxolan-3-yl) 2,2-difluoropropanoate?
The InChIKey is CBVNNJHDBYUCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O4/c1-7(8,9)6(11)13-4-2-5(10)12-3-4/h4H,2-3H2,1H3.
What are the key properties of (5-oxooxolan-3-yl) 2,2-difluoropropanoate?
(5-oxooxolan-3-yl) 2,2-difluoropropanoate has a molecular weight of 194.13 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-3-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 59602405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).