1-ethyl-3-(4-fluorophenoxy)azetidine

C11H14FNO — CID 89379644

IUPAC1-ethyl-3-(4-fluorophenoxy)azetidine
SMILESCCN1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO/c1-2-13-7-11(8-13)14-10-5-3-9(12)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyDJBCQIORQUBFHT-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.91
Rot. Bonds3

About 1-ethyl-3-(4-fluorophenoxy)azetidine

1-ethyl-3-(4-fluorophenoxy)azetidine (PubChem CID 89379644) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenoxy)azetidine.

Molecular Properties

Compound Name1-ethyl-3-(4-fluorophenoxy)azetidine
PubChem CID89379644
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-ethyl-3-(4-fluorophenoxy)azetidine
SMILESCCN1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO/c1-2-13-7-11(8-13)14-10-5-3-9(12)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyDJBCQIORQUBFHT-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenoxy)azetidine?
The IUPAC name of 1-ethyl-3-(4-fluorophenoxy)azetidine (CID 89379644) is 1-ethyl-3-(4-fluorophenoxy)azetidine.
What is the SMILES notation for 1-ethyl-3-(4-fluorophenoxy)azetidine?
The canonical SMILES for 1-ethyl-3-(4-fluorophenoxy)azetidine is CCN1CC(Oc2ccc(F)cc2)C1.
What is the InChIKey of 1-ethyl-3-(4-fluorophenoxy)azetidine?
The InChIKey is DJBCQIORQUBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-13-7-11(8-13)14-10-5-3-9(12)4-6-10/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-ethyl-3-(4-fluorophenoxy)azetidine?
1-ethyl-3-(4-fluorophenoxy)azetidine has a molecular weight of 195.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluorophenoxy)azetidine is sourced from PubChem (CID 89379644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).