bromo diethyl phosphite

C4H10BrO3P — CID 22253900

IUPACbromo diethyl phosphite
SMILESCCOP(OBr)OCC
InChIInChI=1S/C4H10BrO3P/c1-3-6-9(8-5)7-4-2/h3-4H2,1-2H3
InChIKeySUSZZLUZHZZAED-UHFFFAOYSA-N
MW217.00 g/mol
LogP2.61
Rot. Bonds5

About bromo diethyl phosphite

bromo diethyl phosphite (PubChem CID 22253900) has the molecular formula C4H10BrO3P and a molecular weight of 217.00 g/mol. Its IUPAC name is bromo diethyl phosphite.

Molecular Properties

Compound Namebromo diethyl phosphite
PubChem CID22253900
Molecular FormulaC4H10BrO3P
Molecular Weight217.00 g/mol
Exact Mass215.96
IUPAC Namebromo diethyl phosphite
SMILESCCOP(OBr)OCC
InChIInChI=1S/C4H10BrO3P/c1-3-6-9(8-5)7-4-2/h3-4H2,1-2H3
InChIKeySUSZZLUZHZZAED-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.00
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo diethyl phosphite?
The IUPAC name of bromo diethyl phosphite (CID 22253900) is bromo diethyl phosphite.
What is the SMILES notation for bromo diethyl phosphite?
The canonical SMILES for bromo diethyl phosphite is CCOP(OBr)OCC.
What is the InChIKey of bromo diethyl phosphite?
The InChIKey is SUSZZLUZHZZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrO3P/c1-3-6-9(8-5)7-4-2/h3-4H2,1-2H3.
What are the key properties of bromo diethyl phosphite?
bromo diethyl phosphite has a molecular weight of 217.00 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo diethyl phosphite is sourced from PubChem (CID 22253900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).