3-ethoxy-1-(2-iodoethyl)azetidine

C7H14INO — CID 166768424

IUPAC3-ethoxy-1-(2-iodoethyl)azetidine
SMILESCCOC1CN(CCI)C1
InChIInChI=1S/C7H14INO/c1-2-10-7-5-9(6-7)4-3-8/h7H,2-6H2,1H3
InChIKeyVTQYSJGLLCVWNH-UHFFFAOYSA-N
MW255.10 g/mol
LogP1.14
Rot. Bonds4

About 3-ethoxy-1-(2-iodoethyl)azetidine

3-ethoxy-1-(2-iodoethyl)azetidine (PubChem CID 166768424) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-ethoxy-1-(2-iodoethyl)azetidine.

Molecular Properties

Compound Name3-ethoxy-1-(2-iodoethyl)azetidine
PubChem CID166768424
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC Name3-ethoxy-1-(2-iodoethyl)azetidine
SMILESCCOC1CN(CCI)C1
InChIInChI=1S/C7H14INO/c1-2-10-7-5-9(6-7)4-3-8/h7H,2-6H2,1H3
InChIKeyVTQYSJGLLCVWNH-UHFFFAOYSA-N
XLogP1.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-iodoethyl)azetidine?
The IUPAC name of 3-ethoxy-1-(2-iodoethyl)azetidine (CID 166768424) is 3-ethoxy-1-(2-iodoethyl)azetidine.
What is the SMILES notation for 3-ethoxy-1-(2-iodoethyl)azetidine?
The canonical SMILES for 3-ethoxy-1-(2-iodoethyl)azetidine is CCOC1CN(CCI)C1.
What is the InChIKey of 3-ethoxy-1-(2-iodoethyl)azetidine?
The InChIKey is VTQYSJGLLCVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO/c1-2-10-7-5-9(6-7)4-3-8/h7H,2-6H2,1H3.
What are the key properties of 3-ethoxy-1-(2-iodoethyl)azetidine?
3-ethoxy-1-(2-iodoethyl)azetidine has a molecular weight of 255.10 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-iodoethyl)azetidine is sourced from PubChem (CID 166768424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).