3-fluorooxane-4-carbaldehyde

C6H9FO2 — CID 123315617

IUPAC3-fluorooxane-4-carbaldehyde
SMILESO=CC1CCOCC1F
InChIInChI=1S/C6H9FO2/c7-6-4-9-2-1-5(6)3-8/h3,5-6H,1-2,4H2
InChIKeyOCCYUDVURZAVOP-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.56
Rot. Bonds1

About 3-fluorooxane-4-carbaldehyde

3-fluorooxane-4-carbaldehyde (PubChem CID 123315617) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 3-fluorooxane-4-carbaldehyde.

Molecular Properties

Compound Name3-fluorooxane-4-carbaldehyde
PubChem CID123315617
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name3-fluorooxane-4-carbaldehyde
SMILESO=CC1CCOCC1F
InChIInChI=1S/C6H9FO2/c7-6-4-9-2-1-5(6)3-8/h3,5-6H,1-2,4H2
InChIKeyOCCYUDVURZAVOP-UHFFFAOYSA-N
XLogP0.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluorooxane-4-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-fluorooxane-4-carbaldehyde?
The IUPAC name of 3-fluorooxane-4-carbaldehyde (CID 123315617) is 3-fluorooxane-4-carbaldehyde.
What is the SMILES notation for 3-fluorooxane-4-carbaldehyde?
The canonical SMILES for 3-fluorooxane-4-carbaldehyde is O=CC1CCOCC1F.
What is the InChIKey of 3-fluorooxane-4-carbaldehyde?
The InChIKey is OCCYUDVURZAVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c7-6-4-9-2-1-5(6)3-8/h3,5-6H,1-2,4H2.
What are the key properties of 3-fluorooxane-4-carbaldehyde?
3-fluorooxane-4-carbaldehyde has a molecular weight of 132.13 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorooxane-4-carbaldehyde is sourced from PubChem (CID 123315617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).