5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde

C11H9FO4 — CID 107697808

IUPAC5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde
SMILESO=Cc1cc(F)ccc1OC1CCOC1=O
InChIInChI=1S/C11H9FO4/c12-8-1-2-9(7(5-8)6-13)16-10-3-4-15-11(10)14/h1-2,5-6,10H,3-4H2
InChIKeySWUXYIRAFAGEPJ-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.33
Rot. Bonds3

About 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde

5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde (PubChem CID 107697808) has the molecular formula C11H9FO4 and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde
PubChem CID107697808
Molecular FormulaC11H9FO4
Molecular Weight224.19 g/mol
Exact Mass224.05
IUPAC Name5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde
SMILESO=Cc1cc(F)ccc1OC1CCOC1=O
InChIInChI=1S/C11H9FO4/c12-8-1-2-9(7(5-8)6-13)16-10-3-4-15-11(10)14/h1-2,5-6,10H,3-4H2
InChIKeySWUXYIRAFAGEPJ-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
The IUPAC name of 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde (CID 107697808) is 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde.
What is the SMILES notation for 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
The canonical SMILES for 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde is O=Cc1cc(F)ccc1OC1CCOC1=O.
What is the InChIKey of 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
The InChIKey is SWUXYIRAFAGEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO4/c12-8-1-2-9(7(5-8)6-13)16-10-3-4-15-11(10)14/h1-2,5-6,10H,3-4H2.
What are the key properties of 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde?
5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde has a molecular weight of 224.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-oxooxolan-3-yl)oxybenzaldehyde is sourced from PubChem (CID 107697808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).