1-azido-2-(2-iodoethoxy)ethane

C4H8IN3O — CID 150187452

IUPAC1-azido-2-(2-iodoethoxy)ethane
SMILES[N-]=[N+]=NCCOCCI
InChIInChI=1S/C4H8IN3O/c5-1-3-9-4-2-7-8-6/h1-4H2
InChIKeyFMSLRNWOWNMYPT-UHFFFAOYSA-N
MW241.03 g/mol
LogP1.75
Rot. Bonds5

About 1-azido-2-(2-iodoethoxy)ethane

1-azido-2-(2-iodoethoxy)ethane (PubChem CID 150187452) has the molecular formula C4H8IN3O and a molecular weight of 241.03 g/mol. Its IUPAC name is 1-azido-2-(2-iodoethoxy)ethane.

Molecular Properties

Compound Name1-azido-2-(2-iodoethoxy)ethane
PubChem CID150187452
Molecular FormulaC4H8IN3O
Molecular Weight241.03 g/mol
Exact Mass240.97
IUPAC Name1-azido-2-(2-iodoethoxy)ethane
SMILES[N-]=[N+]=NCCOCCI
InChIInChI=1S/C4H8IN3O/c5-1-3-9-4-2-7-8-6/h1-4H2
InChIKeyFMSLRNWOWNMYPT-UHFFFAOYSA-N
XLogP1.75
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-(2-iodoethoxy)ethane?
The IUPAC name of 1-azido-2-(2-iodoethoxy)ethane (CID 150187452) is 1-azido-2-(2-iodoethoxy)ethane.
What is the SMILES notation for 1-azido-2-(2-iodoethoxy)ethane?
The canonical SMILES for 1-azido-2-(2-iodoethoxy)ethane is [N-]=[N+]=NCCOCCI.
What is the InChIKey of 1-azido-2-(2-iodoethoxy)ethane?
The InChIKey is FMSLRNWOWNMYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8IN3O/c5-1-3-9-4-2-7-8-6/h1-4H2.
What are the key properties of 1-azido-2-(2-iodoethoxy)ethane?
1-azido-2-(2-iodoethoxy)ethane has a molecular weight of 241.03 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2-iodoethoxy)ethane is sourced from PubChem (CID 150187452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).