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

C7H8F2O4 — CID 158261846

IUPAC(4-oxooxolan-2-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC(=O)CO1
InChIInChI=1S/C7H8F2O4/c1-7(8,9)6(11)13-5-2-4(10)3-12-5/h5H,2-3H2,1H3
InChIKeyNPWHWESSHPKBPO-UHFFFAOYSA-N
MW194.13 g/mol
LogP0.50
Rot. Bonds2

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

(4-oxooxolan-2-yl) 2,2-difluoropropanoate (PubChem CID 158261846) has the molecular formula C7H8F2O4 and a molecular weight of 194.13 g/mol. Its IUPAC name is (4-oxooxolan-2-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(4-oxooxolan-2-yl) 2,2-difluoropropanoate
PubChem CID158261846
Molecular FormulaC7H8F2O4
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name(4-oxooxolan-2-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CC(=O)CO1
InChIInChI=1S/C7H8F2O4/c1-7(8,9)6(11)13-5-2-4(10)3-12-5/h5H,2-3H2,1H3
InChIKeyNPWHWESSHPKBPO-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 (4-oxooxolan-2-yl) 2,2-difluoropropanoate?
The IUPAC name of (4-oxooxolan-2-yl) 2,2-difluoropropanoate (CID 158261846) is (4-oxooxolan-2-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (4-oxooxolan-2-yl) 2,2-difluoropropanoate?
The canonical SMILES for (4-oxooxolan-2-yl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CC(=O)CO1.
What is the InChIKey of (4-oxooxolan-2-yl) 2,2-difluoropropanoate?
The InChIKey is NPWHWESSHPKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O4/c1-7(8,9)6(11)13-5-2-4(10)3-12-5/h5H,2-3H2,1H3.
What are the key properties of (4-oxooxolan-2-yl) 2,2-difluoropropanoate?
(4-oxooxolan-2-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 (4-oxooxolan-2-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 158261846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).