1-ethenoxy-3-fluoroazetidine

C5H8FNO — CID 59842412

IUPAC1-ethenoxy-3-fluoroazetidine
SMILESC=CON1CC(F)C1
InChIInChI=1S/C5H8FNO/c1-2-8-7-3-5(6)4-7/h2,5H,1,3-4H2
InChIKeyNJLBBFJJUIFXNJ-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.72
Rot. Bonds2

About 1-ethenoxy-3-fluoroazetidine

1-ethenoxy-3-fluoroazetidine (PubChem CID 59842412) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 1-ethenoxy-3-fluoroazetidine.

Molecular Properties

Compound Name1-ethenoxy-3-fluoroazetidine
PubChem CID59842412
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name1-ethenoxy-3-fluoroazetidine
SMILESC=CON1CC(F)C1
InChIInChI=1S/C5H8FNO/c1-2-8-7-3-5(6)4-7/h2,5H,1,3-4H2
InChIKeyNJLBBFJJUIFXNJ-UHFFFAOYSA-N
XLogP0.72
TPSA12.47 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 ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Ethenoxy-3,3-difluoroazetidine
CID 59842427
1-Ethenoxyazetidine
CID 140776703

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-fluoroazetidine?
The IUPAC name of 1-ethenoxy-3-fluoroazetidine (CID 59842412) is 1-ethenoxy-3-fluoroazetidine.
What is the SMILES notation for 1-ethenoxy-3-fluoroazetidine?
The canonical SMILES for 1-ethenoxy-3-fluoroazetidine is C=CON1CC(F)C1.
What is the InChIKey of 1-ethenoxy-3-fluoroazetidine?
The InChIKey is NJLBBFJJUIFXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-2-8-7-3-5(6)4-7/h2,5H,1,3-4H2.
What are the key properties of 1-ethenoxy-3-fluoroazetidine?
1-ethenoxy-3-fluoroazetidine has a molecular weight of 117.12 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-fluoroazetidine is sourced from PubChem (CID 59842412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).