2,2-dibromoethyl(triphenyl)phosphanium

C20H18Br2P+ — CID 54589542

IUPAC2,2-dibromoethyl(triphenyl)phosphanium
SMILESBrC(Br)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18Br2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/q+1
InChIKeyYOIYYCJDJIWRMK-UHFFFAOYSA-N
MW449.15 g/mol
LogP5.10
Rot. Bonds5

About 2,2-dibromoethyl(triphenyl)phosphanium

2,2-dibromoethyl(triphenyl)phosphanium (PubChem CID 54589542) has the molecular formula C20H18Br2P+ and a molecular weight of 449.15 g/mol. Its IUPAC name is 2,2-dibromoethyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2,2-dibromoethyl(triphenyl)phosphanium
PubChem CID54589542
Molecular FormulaC20H18Br2P+
Molecular Weight449.15 g/mol
Exact Mass446.95
IUPAC Name2,2-dibromoethyl(triphenyl)phosphanium
SMILESBrC(Br)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18Br2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/q+1
InChIKeyYOIYYCJDJIWRMK-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.15
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromopropyl(triphenyl)phosphanium;hydrobromide
CID 174746929
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
8-bromooctyl(triphenyl)phosphanium
CID 11991463
5-bromopentyl(triphenyl)phosphanium
CID 53436148
[(2S)-2-methoxypropyl]-triphenylphosphanium
CID 98159687
aminomethyl(triphenyl)phosphanium
CID 155040126
[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
CID 10904649
bromoethane;ethyl(triphenyl)phosphanium;bromide
CID 174716559
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromoethyl(triphenyl)phosphanium?
The IUPAC name of 2,2-dibromoethyl(triphenyl)phosphanium (CID 54589542) is 2,2-dibromoethyl(triphenyl)phosphanium.
What is the SMILES notation for 2,2-dibromoethyl(triphenyl)phosphanium?
The canonical SMILES for 2,2-dibromoethyl(triphenyl)phosphanium is BrC(Br)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dibromoethyl(triphenyl)phosphanium?
The InChIKey is YOIYYCJDJIWRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2P/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2/q+1.
What are the key properties of 2,2-dibromoethyl(triphenyl)phosphanium?
2,2-dibromoethyl(triphenyl)phosphanium has a molecular weight of 449.15 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromoethyl(triphenyl)phosphanium is sourced from PubChem (CID 54589542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).