[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate

C7H9FO4 — CID 69018685

IUPAC[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate
SMILESCC(=O)OC1(CF)COC(=O)C1
InChIInChI=1S/C7H9FO4/c1-5(9)12-7(3-8)2-6(10)11-4-7/h2-4H2,1H3
InChIKeyGWXRVHFLYJCNRQ-UHFFFAOYSA-N
MW176.14 g/mol
LogP0.20
Rot. Bonds2

About [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate

[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate (PubChem CID 69018685) has the molecular formula C7H9FO4 and a molecular weight of 176.14 g/mol. Its IUPAC name is [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate.

Molecular Properties

Compound Name[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate
PubChem CID69018685
Molecular FormulaC7H9FO4
Molecular Weight176.14 g/mol
Exact Mass176.05
IUPAC Name[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate
SMILESCC(=O)OC1(CF)COC(=O)C1
InChIInChI=1S/C7H9FO4/c1-5(9)12-7(3-8)2-6(10)11-4-7/h2-4H2,1H3
InChIKeyGWXRVHFLYJCNRQ-UHFFFAOYSA-N
XLogP0.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate?
The IUPAC name of [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate (CID 69018685) is [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate.
What is the SMILES notation for [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate?
The canonical SMILES for [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate is CC(=O)OC1(CF)COC(=O)C1.
What is the InChIKey of [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate?
The InChIKey is GWXRVHFLYJCNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO4/c1-5(9)12-7(3-8)2-6(10)11-4-7/h2-4H2,1H3.
What are the key properties of [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate?
[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate has a molecular weight of 176.14 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)-5-oxooxolan-3-yl] acetate is sourced from PubChem (CID 69018685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).