bromoethane;ethyl(triphenyl)phosphanium;bromide

C22H25Br2P — CID 174716559

IUPACbromoethane;ethyl(triphenyl)phosphanium;bromide
SMILESCCBr.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H20P.C2H5Br.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2-3;/h3-17H,2H2,1H3;2H2,1H3;1H/q+1;;/p-1
InChIKeyIZIGDKSYKQMCPU-UHFFFAOYSA-M
MW480.22 g/mol
LogP2.41
Rot. Bonds4

About bromoethane;ethyl(triphenyl)phosphanium;bromide

bromoethane;ethyl(triphenyl)phosphanium;bromide (PubChem CID 174716559) has the molecular formula C22H25Br2P and a molecular weight of 480.22 g/mol. Its IUPAC name is bromoethane;ethyl(triphenyl)phosphanium;bromide.

Molecular Properties

Compound Namebromoethane;ethyl(triphenyl)phosphanium;bromide
PubChem CID174716559
Molecular FormulaC22H25Br2P
Molecular Weight480.22 g/mol
Exact Mass478.01
IUPAC Namebromoethane;ethyl(triphenyl)phosphanium;bromide
SMILESCCBr.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H20P.C2H5Br.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2-3;/h3-17H,2H2,1H3;2H2,1H3;1H/q+1;;/p-1
InChIKeyIZIGDKSYKQMCPU-UHFFFAOYSA-M
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.22
LogP ≤ 52.41
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

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Frequently Asked Questions

What is the IUPAC name of bromoethane;ethyl(triphenyl)phosphanium;bromide?
The IUPAC name of bromoethane;ethyl(triphenyl)phosphanium;bromide (CID 174716559) is bromoethane;ethyl(triphenyl)phosphanium;bromide.
What is the SMILES notation for bromoethane;ethyl(triphenyl)phosphanium;bromide?
The canonical SMILES for bromoethane;ethyl(triphenyl)phosphanium;bromide is CCBr.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of bromoethane;ethyl(triphenyl)phosphanium;bromide?
The InChIKey is IZIGDKSYKQMCPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20P.C2H5Br.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2-3;/h3-17H,2H2,1H3;2H2,1H3;1H/q+1;;/p-1.
What are the key properties of bromoethane;ethyl(triphenyl)phosphanium;bromide?
bromoethane;ethyl(triphenyl)phosphanium;bromide has a molecular weight of 480.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;ethyl(triphenyl)phosphanium;bromide is sourced from PubChem (CID 174716559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).