1-bromo-2-(2-bromoethoxy)ethane

C4H8Br2O — CID 21521

IUPAC1-bromo-2-(2-bromoethoxy)ethane
SMILESBrCCOCCBr
InChIInChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
InChIKeyFOZVXADQAHVUSV-UHFFFAOYSA-N
MW231.91 g/mol
LogP1.79
Rot. Bonds4

About 1-bromo-2-(2-bromoethoxy)ethane

1-bromo-2-(2-bromoethoxy)ethane (PubChem CID 21521) has the molecular formula C4H8Br2O and a molecular weight of 231.91 g/mol. Its IUPAC name is 1-bromo-2-(2-bromoethoxy)ethane.

Molecular Properties

Compound Name1-bromo-2-(2-bromoethoxy)ethane
PubChem CID21521
Molecular FormulaC4H8Br2O
Molecular Weight231.91 g/mol
Exact Mass229.89
IUPAC Name1-bromo-2-(2-bromoethoxy)ethane
SMILESBrCCOCCBr
InChIInChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
InChIKeyFOZVXADQAHVUSV-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.91
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane?
The IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane (CID 21521) is 1-bromo-2-(2-bromoethoxy)ethane.
What is the SMILES notation for 1-bromo-2-(2-bromoethoxy)ethane?
The canonical SMILES for 1-bromo-2-(2-bromoethoxy)ethane is BrCCOCCBr.
What is the InChIKey of 1-bromo-2-(2-bromoethoxy)ethane?
The InChIKey is FOZVXADQAHVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2.
What are the key properties of 1-bromo-2-(2-bromoethoxy)ethane?
1-bromo-2-(2-bromoethoxy)ethane has a molecular weight of 231.91 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromoethoxy)ethane is sourced from PubChem (CID 21521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).