3-fluoro-1-(1-methoxyethyl)azetidine

C6H12FNO — CID 170027729

IUPAC3-fluoro-1-(1-methoxyethyl)azetidine
SMILESCOC(C)N1CC(F)C1
InChIInChI=1S/C6H12FNO/c1-5(9-2)8-3-6(7)4-8/h5-6H,3-4H2,1-2H3
InChIKeyFHZOWPHDCTUMFV-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.63
Rot. Bonds2

About 3-fluoro-1-(1-methoxyethyl)azetidine

3-fluoro-1-(1-methoxyethyl)azetidine (PubChem CID 170027729) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-fluoro-1-(1-methoxyethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(1-methoxyethyl)azetidine
PubChem CID170027729
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-fluoro-1-(1-methoxyethyl)azetidine
SMILESCOC(C)N1CC(F)C1
InChIInChI=1S/C6H12FNO/c1-5(9-2)8-3-6(7)4-8/h5-6H,3-4H2,1-2H3
InChIKeyFHZOWPHDCTUMFV-UHFFFAOYSA-N
XLogP0.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-methoxyethyl)azetidine?
The IUPAC name of 3-fluoro-1-(1-methoxyethyl)azetidine (CID 170027729) is 3-fluoro-1-(1-methoxyethyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(1-methoxyethyl)azetidine?
The canonical SMILES for 3-fluoro-1-(1-methoxyethyl)azetidine is COC(C)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(1-methoxyethyl)azetidine?
The InChIKey is FHZOWPHDCTUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(9-2)8-3-6(7)4-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-1-(1-methoxyethyl)azetidine?
3-fluoro-1-(1-methoxyethyl)azetidine has a molecular weight of 133.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methoxyethyl)azetidine is sourced from PubChem (CID 170027729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).