3-(4-fluorophenoxy)azetidine

C9H10FNO — CID 21428730

IUPAC3-(4-fluorophenoxy)azetidine
SMILESFc1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H10FNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKeyZDIPYYPSOHMOMO-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.18
Rot. Bonds2

About 3-(4-fluorophenoxy)azetidine

3-(4-fluorophenoxy)azetidine (PubChem CID 21428730) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)azetidine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)azetidine
PubChem CID21428730
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(4-fluorophenoxy)azetidine
SMILESFc1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H10FNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKeyZDIPYYPSOHMOMO-UHFFFAOYSA-N
XLogP1.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)azetidine?
The IUPAC name of 3-(4-fluorophenoxy)azetidine (CID 21428730) is 3-(4-fluorophenoxy)azetidine.
What is the SMILES notation for 3-(4-fluorophenoxy)azetidine?
The canonical SMILES for 3-(4-fluorophenoxy)azetidine is Fc1ccc(OC2CNC2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)azetidine?
The InChIKey is ZDIPYYPSOHMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2.
What are the key properties of 3-(4-fluorophenoxy)azetidine?
3-(4-fluorophenoxy)azetidine has a molecular weight of 167.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)azetidine is sourced from PubChem (CID 21428730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).