3-(4-fluorophenyl)azetidine;hydrochloride

C9H11ClFN — CID 55250937

IUPAC3-(4-fluorophenyl)azetidine;hydrochloride
SMILESCl.Fc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10FN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
InChIKeyQWBKLXZVUHGPFZ-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.93
Rot. Bonds1

About 3-(4-fluorophenyl)azetidine;hydrochloride

3-(4-fluorophenyl)azetidine;hydrochloride (PubChem CID 55250937) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 3-(4-fluorophenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)azetidine;hydrochloride
PubChem CID55250937
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name3-(4-fluorophenyl)azetidine;hydrochloride
SMILESCl.Fc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10FN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
InChIKeyQWBKLXZVUHGPFZ-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)azetidine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)azetidine;hydrochloride (CID 55250937) is 3-(4-fluorophenyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)azetidine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)azetidine;hydrochloride is Cl.Fc1ccc(C2CNC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)azetidine;hydrochloride?
The InChIKey is QWBKLXZVUHGPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H.
What are the key properties of 3-(4-fluorophenyl)azetidine;hydrochloride?
3-(4-fluorophenyl)azetidine;hydrochloride has a molecular weight of 187.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)azetidine;hydrochloride is sourced from PubChem (CID 55250937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).