2-bromoethyl(trimethyl)phosphanium

C5H13BrP+ — CID 22909796

IUPAC2-bromoethyl(trimethyl)phosphanium
SMILESC[P+](C)(C)CCBr
InChIInChI=1S/C5H13BrP/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
InChIKeySROMJSKHWPOYDA-UHFFFAOYSA-N
MW184.04 g/mol
LogP2.29
Rot. Bonds2

About 2-bromoethyl(trimethyl)phosphanium

2-bromoethyl(trimethyl)phosphanium (PubChem CID 22909796) has the molecular formula C5H13BrP+ and a molecular weight of 184.04 g/mol. Its IUPAC name is 2-bromoethyl(trimethyl)phosphanium.

Molecular Properties

Compound Name2-bromoethyl(trimethyl)phosphanium
PubChem CID22909796
Molecular FormulaC5H13BrP+
Molecular Weight184.04 g/mol
Exact Mass182.99
IUPAC Name2-bromoethyl(trimethyl)phosphanium
SMILESC[P+](C)(C)CCBr
InChIInChI=1S/C5H13BrP/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
InChIKeySROMJSKHWPOYDA-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.04
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl(trimethyl)phosphanium?
The IUPAC name of 2-bromoethyl(trimethyl)phosphanium (CID 22909796) is 2-bromoethyl(trimethyl)phosphanium.
What is the SMILES notation for 2-bromoethyl(trimethyl)phosphanium?
The canonical SMILES for 2-bromoethyl(trimethyl)phosphanium is C[P+](C)(C)CCBr.
What is the InChIKey of 2-bromoethyl(trimethyl)phosphanium?
The InChIKey is SROMJSKHWPOYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BrP/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1.
What are the key properties of 2-bromoethyl(trimethyl)phosphanium?
2-bromoethyl(trimethyl)phosphanium has a molecular weight of 184.04 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl(trimethyl)phosphanium is sourced from PubChem (CID 22909796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).