dibromomethyl formate

C2H2Br2O2 — CID 54320629

About dibromomethyl formate

dibromomethyl formate (PubChem CID 54320629) has the molecular formula C2H2Br2O2 and a molecular weight of 217.84 g/mol. Its IUPAC name is dibromomethyl formate.

Molecular Properties

• Compound Name: dibromomethyl formate
• PubChem CID: 54320629
• Molecular Formula: C2H2Br2O2
• Molecular Weight: 217.84 g/mol
• Exact Mass: 215.84
• IUPAC Name: dibromomethyl formate
• SMILES: O=COC(Br)Br
• InChI: InChI=1S/C2H2Br2O2/c3-2(4)6-1-5/h1-2H
• InChIKey: CBGITKYOIDUCFV-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.84
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dibromomethyl formate?

The IUPAC name of dibromomethyl formate (CID 54320629) is dibromomethyl formate.

What is the SMILES notation for dibromomethyl formate?

The canonical SMILES for dibromomethyl formate is O=COC(Br)Br.

What is the InChIKey of dibromomethyl formate?

The InChIKey is CBGITKYOIDUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Br2O2/c3-2(4)6-1-5/h1-2H.

What are the key properties of dibromomethyl formate?

dibromomethyl formate has a molecular weight of 217.84 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dibromomethyl formate is sourced from PubChem (CID 54320629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).