3-(2-bromoethyl)oxetane

C5H9BrO — CID 21411173

IUPAC3-(2-bromoethyl)oxetane
SMILESBrCCC1COC1
InChIInChI=1S/C5H9BrO/c6-2-1-5-3-7-4-5/h5H,1-4H2
InChIKeyGUQPQUZYJQVGNZ-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.42
Rot. Bonds2

About 3-(2-bromoethyl)oxetane

3-(2-bromoethyl)oxetane (PubChem CID 21411173) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 3-(2-bromoethyl)oxetane.

Molecular Properties

Compound Name3-(2-bromoethyl)oxetane
PubChem CID21411173
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name3-(2-bromoethyl)oxetane
SMILESBrCCC1COC1
InChIInChI=1S/C5H9BrO/c6-2-1-5-3-7-4-5/h5H,1-4H2
InChIKeyGUQPQUZYJQVGNZ-UHFFFAOYSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)oxetane?
The IUPAC name of 3-(2-bromoethyl)oxetane (CID 21411173) is 3-(2-bromoethyl)oxetane.
What is the SMILES notation for 3-(2-bromoethyl)oxetane?
The canonical SMILES for 3-(2-bromoethyl)oxetane is BrCCC1COC1.
What is the InChIKey of 3-(2-bromoethyl)oxetane?
The InChIKey is GUQPQUZYJQVGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c6-2-1-5-3-7-4-5/h5H,1-4H2.
What are the key properties of 3-(2-bromoethyl)oxetane?
3-(2-bromoethyl)oxetane has a molecular weight of 165.03 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)oxetane is sourced from PubChem (CID 21411173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).