1-[1-(4-iodophenyl)ethyl]azetidine

C11H14IN — CID 130668463

IUPAC1-[1-(4-iodophenyl)ethyl]azetidine
SMILESCC(c1ccc(I)cc1)N1CCC1
InChIInChI=1S/C11H14IN/c1-9(13-7-2-8-13)10-3-5-11(12)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyYYMFIHOFYIVGDR-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.06
Rot. Bonds2

About 1-[1-(4-iodophenyl)ethyl]azetidine

1-[1-(4-iodophenyl)ethyl]azetidine (PubChem CID 130668463) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)ethyl]azetidine.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)ethyl]azetidine
PubChem CID130668463
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name1-[1-(4-iodophenyl)ethyl]azetidine
SMILESCC(c1ccc(I)cc1)N1CCC1
InChIInChI=1S/C11H14IN/c1-9(13-7-2-8-13)10-3-5-11(12)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyYYMFIHOFYIVGDR-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[1-(4-iodophenyl)ethyl]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)ethyl]azetidine?
The IUPAC name of 1-[1-(4-iodophenyl)ethyl]azetidine (CID 130668463) is 1-[1-(4-iodophenyl)ethyl]azetidine.
What is the SMILES notation for 1-[1-(4-iodophenyl)ethyl]azetidine?
The canonical SMILES for 1-[1-(4-iodophenyl)ethyl]azetidine is CC(c1ccc(I)cc1)N1CCC1.
What is the InChIKey of 1-[1-(4-iodophenyl)ethyl]azetidine?
The InChIKey is YYMFIHOFYIVGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN/c1-9(13-7-2-8-13)10-3-5-11(12)6-4-10/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 1-[1-(4-iodophenyl)ethyl]azetidine?
1-[1-(4-iodophenyl)ethyl]azetidine has a molecular weight of 287.14 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodophenyl)ethyl]azetidine is sourced from PubChem (CID 130668463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).