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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bromo(phenyl)methyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 10526274
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
3-bromo-3-[bromo(phenyl)methyl]-2-benzofuran-1-one
CID 3700351
bromo(phenyl)methanamine;hydroiodide
CID 175393432
2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
CID 15252359
(2R)-2-[(S)-bromo(phenyl)methyl]oxirane
CID 14961977
1-bromoethylbenzene
CID 11454
(2R)-2-bromo-2-[(S)-bromo(phenyl)methyl]-3,4-dihydronaphthalen-1-one
CID 6995220
[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
CID 126511399
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
(1-bromo-2,2,2-triphenylethyl)benzene
CID 141334125

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).