2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid

C6H6F2O5 — CID 164747316

IUPAC2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid
SMILESO=C1OCCC1OC(F)(F)C(=O)O
InChIInChI=1S/C6H6F2O5/c7-6(8,5(10)11)13-3-1-2-12-4(3)9/h3H,1-2H2,(H,10,11)
InChIKeyDHWHEPLYOUMWTF-UHFFFAOYSA-N
MW196.10 g/mol
LogP-0.00
Rot. Bonds3

About 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid

2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid (PubChem CID 164747316) has the molecular formula C6H6F2O5 and a molecular weight of 196.10 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid
PubChem CID164747316
Molecular FormulaC6H6F2O5
Molecular Weight196.10 g/mol
Exact Mass196.02
IUPAC Name2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid
SMILESO=C1OCCC1OC(F)(F)C(=O)O
InChIInChI=1S/C6H6F2O5/c7-6(8,5(10)11)13-3-1-2-12-4(3)9/h3H,1-2H2,(H,10,11)
InChIKeyDHWHEPLYOUMWTF-UHFFFAOYSA-N
XLogP-0.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,2-Trifluoroacetyl)oxybutanedioic acid
CID 20070728
(2-Oxooxolan-3-yl) 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57760379
(2-Oxooxolan-3-yl) 2,2-difluoropropanoate
CID 57810606
(4-Hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate
CID 58185941
(4-Hydroxy-2-oxooxolan-3-yl) 2,2-difluoroacetate
CID 58225759
[2-Oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoroacetate
CID 58225877
(2-Oxooxolan-3-yl) 2,2-difluoroacetate
CID 58225900
(4-Hydroxy-5-oxooxolan-3-yl) 2,2-difluoroacetate
CID 58225940
(4-Hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate
CID 59602408
[2-Oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
CID 59602424
(4-Hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate
CID 59602457
3,4-Dihydroxy-2-(2,2,2-trifluoroacetyl)oxybutanoic acid
CID 88460183

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid?
The IUPAC name of 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid (CID 164747316) is 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid.
What is the SMILES notation for 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid?
The canonical SMILES for 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid is O=C1OCCC1OC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid?
The InChIKey is DHWHEPLYOUMWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O5/c7-6(8,5(10)11)13-3-1-2-12-4(3)9/h3H,1-2H2,(H,10,11).
What are the key properties of 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid?
2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid has a molecular weight of 196.10 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetic acid is sourced from PubChem (CID 164747316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).