3-fluorooxolane-2-carbaldehyde

C5H7FO2 — CID 156747475

IUPAC3-fluorooxolane-2-carbaldehyde
SMILESO=CC1OCCC1F
InChIInChI=1S/C5H7FO2/c6-4-1-2-8-5(4)3-7/h3-5H,1-2H2
InChIKeyXVNBKQLEFJKZSX-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.31
Rot. Bonds1

About 3-fluorooxolane-2-carbaldehyde

3-fluorooxolane-2-carbaldehyde (PubChem CID 156747475) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 3-fluorooxolane-2-carbaldehyde.

Molecular Properties

Compound Name3-fluorooxolane-2-carbaldehyde
PubChem CID156747475
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name3-fluorooxolane-2-carbaldehyde
SMILESO=CC1OCCC1F
InChIInChI=1S/C5H7FO2/c6-4-1-2-8-5(4)3-7/h3-5H,1-2H2
InChIKeyXVNBKQLEFJKZSX-UHFFFAOYSA-N
XLogP0.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluorooxolane-2-carbaldehyde 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 3-fluorooxolane-2-carbaldehyde?
The IUPAC name of 3-fluorooxolane-2-carbaldehyde (CID 156747475) is 3-fluorooxolane-2-carbaldehyde.
What is the SMILES notation for 3-fluorooxolane-2-carbaldehyde?
The canonical SMILES for 3-fluorooxolane-2-carbaldehyde is O=CC1OCCC1F.
What is the InChIKey of 3-fluorooxolane-2-carbaldehyde?
The InChIKey is XVNBKQLEFJKZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-4-1-2-8-5(4)3-7/h3-5H,1-2H2.
What are the key properties of 3-fluorooxolane-2-carbaldehyde?
3-fluorooxolane-2-carbaldehyde has a molecular weight of 118.11 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorooxolane-2-carbaldehyde is sourced from PubChem (CID 156747475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).