3-(4-fluorophenoxy)azetidine;hydrochloride

C9H11ClFNO — CID 21428732

IUPAC3-(4-fluorophenoxy)azetidine;hydrochloride
SMILESCl.Fc1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H10FNO.ClH/c10-7-1-3-8(4-2-7)12-9-5-11-6-9;/h1-4,9,11H,5-6H2;1H
InChIKeyWMNNQAMLIXEEAA-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.60
Rot. Bonds2

About 3-(4-fluorophenoxy)azetidine;hydrochloride

3-(4-fluorophenoxy)azetidine;hydrochloride (PubChem CID 21428732) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenoxy)azetidine;hydrochloride
PubChem CID21428732
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name3-(4-fluorophenoxy)azetidine;hydrochloride
SMILESCl.Fc1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H10FNO.ClH/c10-7-1-3-8(4-2-7)12-9-5-11-6-9;/h1-4,9,11H,5-6H2;1H
InChIKeyWMNNQAMLIXEEAA-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.60
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;hydrochloride?
The IUPAC name of 3-(4-fluorophenoxy)azetidine;hydrochloride (CID 21428732) is 3-(4-fluorophenoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenoxy)azetidine;hydrochloride is Cl.Fc1ccc(OC2CNC2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)azetidine;hydrochloride?
The InChIKey is WMNNQAMLIXEEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO.ClH/c10-7-1-3-8(4-2-7)12-9-5-11-6-9;/h1-4,9,11H,5-6H2;1H.
What are the key properties of 3-(4-fluorophenoxy)azetidine;hydrochloride?
3-(4-fluorophenoxy)azetidine;hydrochloride has a molecular weight of 203.64 g/mol, XLogP of 1.60, 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;hydrochloride is sourced from PubChem (CID 21428732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).