2,3-dibromo-2-[bromo(phenyl)methyl]oxirane

C9H7Br3O — CID 54349080

IUPAC2,3-dibromo-2-[bromo(phenyl)methyl]oxirane
SMILESBrC1OC1(Br)C(Br)c1ccccc1
InChIInChI=1S/C9H7Br3O/c10-7(9(12)8(11)13-9)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyHOONRDQUGCWQCD-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.96
Rot. Bonds2

About 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane

2,3-dibromo-2-[bromo(phenyl)methyl]oxirane (PubChem CID 54349080) has the molecular formula C9H7Br3O and a molecular weight of 370.87 g/mol. Its IUPAC name is 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane.

Molecular Properties

Compound Name2,3-dibromo-2-[bromo(phenyl)methyl]oxirane
PubChem CID54349080
Molecular FormulaC9H7Br3O
Molecular Weight370.87 g/mol
Exact Mass367.80
IUPAC Name2,3-dibromo-2-[bromo(phenyl)methyl]oxirane
SMILESBrC1OC1(Br)C(Br)c1ccccc1
InChIInChI=1S/C9H7Br3O/c10-7(9(12)8(11)13-9)6-4-2-1-3-5-6/h1-5,7-8H
InChIKeyHOONRDQUGCWQCD-UHFFFAOYSA-N
XLogP3.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane?
The IUPAC name of 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane (CID 54349080) is 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane.
What is the SMILES notation for 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane?
The canonical SMILES for 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane is BrC1OC1(Br)C(Br)c1ccccc1.
What is the InChIKey of 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane?
The InChIKey is HOONRDQUGCWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3O/c10-7(9(12)8(11)13-9)6-4-2-1-3-5-6/h1-5,7-8H.
What are the key properties of 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane?
2,3-dibromo-2-[bromo(phenyl)methyl]oxirane has a molecular weight of 370.87 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-2-[bromo(phenyl)methyl]oxirane is sourced from PubChem (CID 54349080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).