2-bromoethyl(methyl)phosphinic acid

C3H8BrO2P — CID 15783673

IUPAC2-bromoethyl(methyl)phosphinic acid
SMILESCP(=O)(O)CCBr
InChIInChI=1S/C3H8BrO2P/c1-7(5,6)3-2-4/h2-3H2,1H3,(H,5,6)
InChIKeyYPZJMTHOVFDPJK-UHFFFAOYSA-N
MW186.97 g/mol
LogP1.28
Rot. Bonds2

About 2-bromoethyl(methyl)phosphinic acid

2-bromoethyl(methyl)phosphinic acid (PubChem CID 15783673) has the molecular formula C3H8BrO2P and a molecular weight of 186.97 g/mol. Its IUPAC name is 2-bromoethyl(methyl)phosphinic acid.

Molecular Properties

Compound Name2-bromoethyl(methyl)phosphinic acid
PubChem CID15783673
Molecular FormulaC3H8BrO2P
Molecular Weight186.97 g/mol
Exact Mass185.94
IUPAC Name2-bromoethyl(methyl)phosphinic acid
SMILESCP(=O)(O)CCBr
InChIInChI=1S/C3H8BrO2P/c1-7(5,6)3-2-4/h2-3H2,1H3,(H,5,6)
InChIKeyYPZJMTHOVFDPJK-UHFFFAOYSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.97
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromoethyl(methyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl(propyl)phosphinic acid
CID 10992780
butyl(methyl)phosphinic acid
CID 10909622
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
sodium;carbanide;methylphosphonic acid
CID 157106296
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
1-[2-bromoethyl(1-hydroxyethyl)phosphoryl]ethanol
CID 88561014
[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
CID 178163308
sodium;hydride;methyl(methylaminomethyl)phosphinic acid
CID 173239428
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
1-bromo-2-[2-bromoethyl(chloro)phosphoryl]ethane
CID 141346729
(4-amino-3,4-dioxobutyl)-methylphosphinic acid
CID 15653739
38-bromooctatriacontylphosphonic acid
CID 87683541

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl(methyl)phosphinic acid?
The IUPAC name of 2-bromoethyl(methyl)phosphinic acid (CID 15783673) is 2-bromoethyl(methyl)phosphinic acid.
What is the SMILES notation for 2-bromoethyl(methyl)phosphinic acid?
The canonical SMILES for 2-bromoethyl(methyl)phosphinic acid is CP(=O)(O)CCBr.
What is the InChIKey of 2-bromoethyl(methyl)phosphinic acid?
The InChIKey is YPZJMTHOVFDPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BrO2P/c1-7(5,6)3-2-4/h2-3H2,1H3,(H,5,6).
What are the key properties of 2-bromoethyl(methyl)phosphinic acid?
2-bromoethyl(methyl)phosphinic acid has a molecular weight of 186.97 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl(methyl)phosphinic acid is sourced from PubChem (CID 15783673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).