bromo(diethoxy)phosphane

C4H10BrO2P — CID 12583901

IUPACbromo(diethoxy)phosphane
SMILESCCOP(Br)OCC
InChIInChI=1S/C4H10BrO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKeyNTJITRXLISEITA-UHFFFAOYSA-N
MW201.00 g/mol
LogP2.68
Rot. Bonds4

About bromo(diethoxy)phosphane

bromo(diethoxy)phosphane (PubChem CID 12583901) has the molecular formula C4H10BrO2P and a molecular weight of 201.00 g/mol. Its IUPAC name is bromo(diethoxy)phosphane.

Molecular Properties

Compound Namebromo(diethoxy)phosphane
PubChem CID12583901
Molecular FormulaC4H10BrO2P
Molecular Weight201.00 g/mol
Exact Mass199.96
IUPAC Namebromo(diethoxy)phosphane
SMILESCCOP(Br)OCC
InChIInChI=1S/C4H10BrO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKeyNTJITRXLISEITA-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.00
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(diethoxy)phosphane?
The IUPAC name of bromo(diethoxy)phosphane (CID 12583901) is bromo(diethoxy)phosphane.
What is the SMILES notation for bromo(diethoxy)phosphane?
The canonical SMILES for bromo(diethoxy)phosphane is CCOP(Br)OCC.
What is the InChIKey of bromo(diethoxy)phosphane?
The InChIKey is NTJITRXLISEITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3.
What are the key properties of bromo(diethoxy)phosphane?
bromo(diethoxy)phosphane has a molecular weight of 201.00 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(diethoxy)phosphane is sourced from PubChem (CID 12583901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).