1-ethenoxy-3,3-difluoroazetidine

C5H7F2NO — CID 59842427

IUPAC1-ethenoxy-3,3-difluoroazetidine
SMILESC=CON1CC(F)(F)C1
InChIInChI=1S/C5H7F2NO/c1-2-9-8-3-5(6,7)4-8/h2H,1,3-4H2
InChIKeyUOGOGRBZWSPJSR-UHFFFAOYSA-N
MW135.11 g/mol
LogP1.01
Rot. Bonds2

About 1-ethenoxy-3,3-difluoroazetidine

1-ethenoxy-3,3-difluoroazetidine (PubChem CID 59842427) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 1-ethenoxy-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-ethenoxy-3,3-difluoroazetidine
PubChem CID59842427
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name1-ethenoxy-3,3-difluoroazetidine
SMILESC=CON1CC(F)(F)C1
InChIInChI=1S/C5H7F2NO/c1-2-9-8-3-5(6,7)4-8/h2H,1,3-4H2
InChIKeyUOGOGRBZWSPJSR-UHFFFAOYSA-N
XLogP1.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3,3-difluoroazetidine?
The IUPAC name of 1-ethenoxy-3,3-difluoroazetidine (CID 59842427) is 1-ethenoxy-3,3-difluoroazetidine.
What is the SMILES notation for 1-ethenoxy-3,3-difluoroazetidine?
The canonical SMILES for 1-ethenoxy-3,3-difluoroazetidine is C=CON1CC(F)(F)C1.
What is the InChIKey of 1-ethenoxy-3,3-difluoroazetidine?
The InChIKey is UOGOGRBZWSPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c1-2-9-8-3-5(6,7)4-8/h2H,1,3-4H2.
What are the key properties of 1-ethenoxy-3,3-difluoroazetidine?
1-ethenoxy-3,3-difluoroazetidine has a molecular weight of 135.11 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3,3-difluoroazetidine is sourced from PubChem (CID 59842427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).