(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate

C7H8F2O5 — CID 59602457

IUPAC(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1C(=O)OCC1O
InChIInChI=1S/C7H8F2O5/c1-7(8,9)6(12)14-4-3(10)2-13-5(4)11/h3-4,10H,2H2,1H3
InChIKeyYHHYPXWWCDOUDA-UHFFFAOYSA-N
MW210.13 g/mol
LogP-0.53
Rot. Bonds2

About (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate

(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate (PubChem CID 59602457) has the molecular formula C7H8F2O5 and a molecular weight of 210.13 g/mol. Its IUPAC name is (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate
PubChem CID59602457
Molecular FormulaC7H8F2O5
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1C(=O)OCC1O
InChIInChI=1S/C7H8F2O5/c1-7(8,9)6(12)14-4-3(10)2-13-5(4)11/h3-4,10H,2H2,1H3
InChIKeyYHHYPXWWCDOUDA-UHFFFAOYSA-N
XLogP-0.53
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate?
The IUPAC name of (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate (CID 59602457) is (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate?
The canonical SMILES for (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1C(=O)OCC1O.
What is the InChIKey of (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate?
The InChIKey is YHHYPXWWCDOUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O5/c1-7(8,9)6(12)14-4-3(10)2-13-5(4)11/h3-4,10H,2H2,1H3.
What are the key properties of (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate?
(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate has a molecular weight of 210.13 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 59602457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).