(2S)-2-(bromomethyl)oxetane

C4H7BrO — CID 51557232

IUPAC(2S)-2-(bromomethyl)oxetane
SMILESBrC[C@@H]1CCO1
InChIInChI=1S/C4H7BrO/c5-3-4-1-2-6-4/h4H,1-3H2/t4-/m0/s1
InChIKeyOMXAGUVERXNCSZ-BYPYZUCNSA-N
MW151.00 g/mol
LogP1.17
Rot. Bonds1

About (2S)-2-(bromomethyl)oxetane

(2S)-2-(bromomethyl)oxetane (PubChem CID 51557232) has the molecular formula C4H7BrO and a molecular weight of 151.00 g/mol. Its IUPAC name is (2S)-2-(bromomethyl)oxetane.

Molecular Properties

Compound Name(2S)-2-(bromomethyl)oxetane
PubChem CID51557232
Molecular FormulaC4H7BrO
Molecular Weight151.00 g/mol
Exact Mass149.97
IUPAC Name(2S)-2-(bromomethyl)oxetane
SMILESBrC[C@@H]1CCO1
InChIInChI=1S/C4H7BrO/c5-3-4-1-2-6-4/h4H,1-3H2/t4-/m0/s1
InChIKeyOMXAGUVERXNCSZ-BYPYZUCNSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.00
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-(bromomethyl)oxetane 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 (2S)-2-(bromomethyl)oxetane?
The IUPAC name of (2S)-2-(bromomethyl)oxetane (CID 51557232) is (2S)-2-(bromomethyl)oxetane.
What is the SMILES notation for (2S)-2-(bromomethyl)oxetane?
The canonical SMILES for (2S)-2-(bromomethyl)oxetane is BrC[C@@H]1CCO1.
What is the InChIKey of (2S)-2-(bromomethyl)oxetane?
The InChIKey is OMXAGUVERXNCSZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H7BrO/c5-3-4-1-2-6-4/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-2-(bromomethyl)oxetane?
(2S)-2-(bromomethyl)oxetane has a molecular weight of 151.00 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(bromomethyl)oxetane is sourced from PubChem (CID 51557232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).