2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid

C8H10F2O5 — CID 164747438

IUPAC2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid
SMILESCC1OC(=O)CC1(C)OC(F)(F)C(=O)O
InChIInChI=1S/C8H10F2O5/c1-4-7(2,3-5(11)14-4)15-8(9,10)6(12)13/h4H,3H2,1-2H3,(H,12,13)
InChIKeyJFRFHKLGYNELGU-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.77
Rot. Bonds3

About 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid

2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid (PubChem CID 164747438) has the molecular formula C8H10F2O5 and a molecular weight of 224.16 g/mol. Its IUPAC name is 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid
PubChem CID164747438
Molecular FormulaC8H10F2O5
Molecular Weight224.16 g/mol
Exact Mass224.05
IUPAC Name2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid
SMILESCC1OC(=O)CC1(C)OC(F)(F)C(=O)O
InChIInChI=1S/C8H10F2O5/c1-4-7(2,3-5(11)14-4)15-8(9,10)6(12)13/h4H,3H2,1-2H3,(H,12,13)
InChIKeyJFRFHKLGYNELGU-UHFFFAOYSA-N
XLogP0.77
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid?
The IUPAC name of 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid (CID 164747438) is 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid is CC1OC(=O)CC1(C)OC(F)(F)C(=O)O.
What is the InChIKey of 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid?
The InChIKey is JFRFHKLGYNELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O5/c1-4-7(2,3-5(11)14-4)15-8(9,10)6(12)13/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid?
2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid has a molecular weight of 224.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetic acid is sourced from PubChem (CID 164747438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).