bis(2-bromoethyl) phosphite

C4H8Br2O3P- — CID 86738295

IUPACbis(2-bromoethyl) phosphite
SMILES[O-]P(OCCBr)OCCBr
InChIInChI=1S/C4H8Br2O3P/c5-1-3-8-10(7)9-4-2-6/h1-4H2/q-1
InChIKeyIDQVBCBOIQKWGU-UHFFFAOYSA-N
MW294.89 g/mol
LogP1.40
Rot. Bonds6

About bis(2-bromoethyl) phosphite

bis(2-bromoethyl) phosphite (PubChem CID 86738295) has the molecular formula C4H8Br2O3P- and a molecular weight of 294.89 g/mol. Its IUPAC name is bis(2-bromoethyl) phosphite.

Molecular Properties

Compound Namebis(2-bromoethyl) phosphite
PubChem CID86738295
Molecular FormulaC4H8Br2O3P-
Molecular Weight294.89 g/mol
Exact Mass292.86
IUPAC Namebis(2-bromoethyl) phosphite
SMILES[O-]P(OCCBr)OCCBr
InChIInChI=1S/C4H8Br2O3P/c5-1-3-8-10(7)9-4-2-6/h1-4H2/q-1
InChIKeyIDQVBCBOIQKWGU-UHFFFAOYSA-N
XLogP1.40
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.89
LogP ≤ 51.40
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 bis(2-bromoethyl) phosphite?
The IUPAC name of bis(2-bromoethyl) phosphite (CID 86738295) is bis(2-bromoethyl) phosphite.
What is the SMILES notation for bis(2-bromoethyl) phosphite?
The canonical SMILES for bis(2-bromoethyl) phosphite is [O-]P(OCCBr)OCCBr.
What is the InChIKey of bis(2-bromoethyl) phosphite?
The InChIKey is IDQVBCBOIQKWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2O3P/c5-1-3-8-10(7)9-4-2-6/h1-4H2/q-1.
What are the key properties of bis(2-bromoethyl) phosphite?
bis(2-bromoethyl) phosphite has a molecular weight of 294.89 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromoethyl) phosphite is sourced from PubChem (CID 86738295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).