tris(2-bromoethyl) phosphite

C6H12Br3O3P — CID 572267

IUPACtris(2-bromoethyl) phosphite
SMILESBrCCOP(OCCBr)OCCBr
InChIInChI=1S/C6H12Br3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2
InChIKeyCTNKMFCADRXINY-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.45
Rot. Bonds9

About tris(2-bromoethyl) phosphite

tris(2-bromoethyl) phosphite (PubChem CID 572267) has the molecular formula C6H12Br3O3P and a molecular weight of 402.85 g/mol. Its IUPAC name is tris(2-bromoethyl) phosphite.

Molecular Properties

Compound Nametris(2-bromoethyl) phosphite
PubChem CID572267
Molecular FormulaC6H12Br3O3P
Molecular Weight402.85 g/mol
Exact Mass399.81
IUPAC Nametris(2-bromoethyl) phosphite
SMILESBrCCOP(OCCBr)OCCBr
InChIInChI=1S/C6H12Br3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2
InChIKeyCTNKMFCADRXINY-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-bromoethyl) phosphite?
The IUPAC name of tris(2-bromoethyl) phosphite (CID 572267) is tris(2-bromoethyl) phosphite.
What is the SMILES notation for tris(2-bromoethyl) phosphite?
The canonical SMILES for tris(2-bromoethyl) phosphite is BrCCOP(OCCBr)OCCBr.
What is the InChIKey of tris(2-bromoethyl) phosphite?
The InChIKey is CTNKMFCADRXINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2.
What are the key properties of tris(2-bromoethyl) phosphite?
tris(2-bromoethyl) phosphite has a molecular weight of 402.85 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-bromoethyl) phosphite is sourced from PubChem (CID 572267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).