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

C6H6F2O4 — CID 58225772

IUPAC(5-oxooxolan-3-yl) 2,2-difluoroacetate
SMILESO=C1CC(OC(=O)C(F)F)CO1
InChIInChI=1S/C6H6F2O4/c7-5(8)6(10)12-3-1-4(9)11-2-3/h3,5H,1-2H2
InChIKeyMMXOWUBSWWYOSE-UHFFFAOYSA-N
MW180.11 g/mol
LogP0.11
Rot. Bonds2

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

(5-oxooxolan-3-yl) 2,2-difluoroacetate (PubChem CID 58225772) has the molecular formula C6H6F2O4 and a molecular weight of 180.11 g/mol. Its IUPAC name is (5-oxooxolan-3-yl) 2,2-difluoroacetate.

Molecular Properties

Compound Name(5-oxooxolan-3-yl) 2,2-difluoroacetate
PubChem CID58225772
Molecular FormulaC6H6F2O4
Molecular Weight180.11 g/mol
Exact Mass180.02
IUPAC Name(5-oxooxolan-3-yl) 2,2-difluoroacetate
SMILESO=C1CC(OC(=O)C(F)F)CO1
InChIInChI=1S/C6H6F2O4/c7-5(8)6(10)12-3-1-4(9)11-2-3/h3,5H,1-2H2
InChIKeyMMXOWUBSWWYOSE-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 50.11
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-difluoroacetate?
The IUPAC name of (5-oxooxolan-3-yl) 2,2-difluoroacetate (CID 58225772) is (5-oxooxolan-3-yl) 2,2-difluoroacetate.
What is the SMILES notation for (5-oxooxolan-3-yl) 2,2-difluoroacetate?
The canonical SMILES for (5-oxooxolan-3-yl) 2,2-difluoroacetate is O=C1CC(OC(=O)C(F)F)CO1.
What is the InChIKey of (5-oxooxolan-3-yl) 2,2-difluoroacetate?
The InChIKey is MMXOWUBSWWYOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O4/c7-5(8)6(10)12-3-1-4(9)11-2-3/h3,5H,1-2H2.
What are the key properties of (5-oxooxolan-3-yl) 2,2-difluoroacetate?
(5-oxooxolan-3-yl) 2,2-difluoroacetate has a molecular weight of 180.11 g/mol, XLogP of 0.11, 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-difluoroacetate is sourced from PubChem (CID 58225772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).