3-[2-(4-fluorophenyl)ethoxy]azetidine

C11H14FNO — CID 115070498

IUPAC3-[2-(4-fluorophenyl)ethoxy]azetidine
SMILESFc1ccc(CCOC2CNC2)cc1
InChIInChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)5-6-14-11-7-13-8-11/h1-4,11,13H,5-8H2
InChIKeySUBFVLAQUFQBAH-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.36
Rot. Bonds4

About 3-[2-(4-fluorophenyl)ethoxy]azetidine

3-[2-(4-fluorophenyl)ethoxy]azetidine (PubChem CID 115070498) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethoxy]azetidine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethoxy]azetidine
PubChem CID115070498
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[2-(4-fluorophenyl)ethoxy]azetidine
SMILESFc1ccc(CCOC2CNC2)cc1
InChIInChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)5-6-14-11-7-13-8-11/h1-4,11,13H,5-8H2
InChIKeySUBFVLAQUFQBAH-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethoxy]azetidine?
The IUPAC name of 3-[2-(4-fluorophenyl)ethoxy]azetidine (CID 115070498) is 3-[2-(4-fluorophenyl)ethoxy]azetidine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethoxy]azetidine?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethoxy]azetidine is Fc1ccc(CCOC2CNC2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethoxy]azetidine?
The InChIKey is SUBFVLAQUFQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)5-6-14-11-7-13-8-11/h1-4,11,13H,5-8H2.
What are the key properties of 3-[2-(4-fluorophenyl)ethoxy]azetidine?
3-[2-(4-fluorophenyl)ethoxy]azetidine has a molecular weight of 195.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethoxy]azetidine is sourced from PubChem (CID 115070498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).