3-fluoro-3-(2-methoxyethyl)azetidine

C6H12FNO — CID 122239761

IUPAC3-fluoro-3-(2-methoxyethyl)azetidine
SMILESCOCCC1(F)CNC1
InChIInChI=1S/C6H12FNO/c1-9-3-2-6(7)4-8-5-6/h8H,2-5H2,1H3
InChIKeyQZAKRUVZGAJTLI-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.33
Rot. Bonds3

About 3-fluoro-3-(2-methoxyethyl)azetidine

3-fluoro-3-(2-methoxyethyl)azetidine (PubChem CID 122239761) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-fluoro-3-(2-methoxyethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methoxyethyl)azetidine
PubChem CID122239761
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-fluoro-3-(2-methoxyethyl)azetidine
SMILESCOCCC1(F)CNC1
InChIInChI=1S/C6H12FNO/c1-9-3-2-6(7)4-8-5-6/h8H,2-5H2,1H3
InChIKeyQZAKRUVZGAJTLI-UHFFFAOYSA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methoxyethyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-methoxyethyl)azetidine (CID 122239761) is 3-fluoro-3-(2-methoxyethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-methoxyethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-methoxyethyl)azetidine is COCCC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(2-methoxyethyl)azetidine?
The InChIKey is QZAKRUVZGAJTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-9-3-2-6(7)4-8-5-6/h8H,2-5H2,1H3.
What are the key properties of 3-fluoro-3-(2-methoxyethyl)azetidine?
3-fluoro-3-(2-methoxyethyl)azetidine has a molecular weight of 133.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methoxyethyl)azetidine is sourced from PubChem (CID 122239761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).