2-(3-fluoroazetidin-1-yl)acetaldehyde

C5H8FNO — CID 154514662

IUPAC2-(3-fluoroazetidin-1-yl)acetaldehyde
SMILESO=CCN1CC(F)C1
InChIInChI=1S/C5H8FNO/c6-5-3-7(4-5)1-2-8/h2,5H,1,3-4H2
InChIKeyIEIQSSFAICBYEZ-UHFFFAOYSA-N
MW117.12 g/mol
LogP-0.16
Rot. Bonds2

About 2-(3-fluoroazetidin-1-yl)acetaldehyde

2-(3-fluoroazetidin-1-yl)acetaldehyde (PubChem CID 154514662) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluoroazetidin-1-yl)acetaldehyde
PubChem CID154514662
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2-(3-fluoroazetidin-1-yl)acetaldehyde
SMILESO=CCN1CC(F)C1
InChIInChI=1S/C5H8FNO/c6-5-3-7(4-5)1-2-8/h2,5H,1,3-4H2
InChIKeyIEIQSSFAICBYEZ-UHFFFAOYSA-N
XLogP-0.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-fluoroazetidin-1-yl)acetaldehyde 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 2-(3-fluoroazetidin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-fluoroazetidin-1-yl)acetaldehyde (CID 154514662) is 2-(3-fluoroazetidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-fluoroazetidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-fluoroazetidin-1-yl)acetaldehyde is O=CCN1CC(F)C1.
What is the InChIKey of 2-(3-fluoroazetidin-1-yl)acetaldehyde?
The InChIKey is IEIQSSFAICBYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-5-3-7(4-5)1-2-8/h2,5H,1,3-4H2.
What are the key properties of 2-(3-fluoroazetidin-1-yl)acetaldehyde?
2-(3-fluoroazetidin-1-yl)acetaldehyde has a molecular weight of 117.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-1-yl)acetaldehyde is sourced from PubChem (CID 154514662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).