2-chloroethylperoxy(ethyl)phosphinic acid

C4H10ClO4P — CID 174902353

IUPAC2-chloroethylperoxy(ethyl)phosphinic acid
SMILESCCP(=O)(O)OOCCCl
InChIInChI=1S/C4H10ClO4P/c1-2-10(6,7)9-8-4-3-5/h2-4H2,1H3,(H,6,7)
InChIKeyUAUNKYGUHWBNNX-UHFFFAOYSA-N
MW188.55 g/mol
LogP1.38
Rot. Bonds5

About 2-chloroethylperoxy(ethyl)phosphinic acid

2-chloroethylperoxy(ethyl)phosphinic acid (PubChem CID 174902353) has the molecular formula C4H10ClO4P and a molecular weight of 188.55 g/mol. Its IUPAC name is 2-chloroethylperoxy(ethyl)phosphinic acid.

Molecular Properties

Compound Name2-chloroethylperoxy(ethyl)phosphinic acid
PubChem CID174902353
Molecular FormulaC4H10ClO4P
Molecular Weight188.55 g/mol
Exact Mass188.00
IUPAC Name2-chloroethylperoxy(ethyl)phosphinic acid
SMILESCCP(=O)(O)OOCCCl
InChIInChI=1S/C4H10ClO4P/c1-2-10(6,7)9-8-4-3-5/h2-4H2,1H3,(H,6,7)
InChIKeyUAUNKYGUHWBNNX-UHFFFAOYSA-N
XLogP1.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.55
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
CID 166607850
ethyl(hydroperoxy)phosphinic acid
CID 54175112
1-chloro-2-ethoxyethane;phosphono dihydrogen phosphate
CID 175312423
ethyl(hydroperoxy)phosphinic acid;rhenium
CID 174770512
CID 87274277
CID 87274277
butoxy(ethyl)phosphinic acid
CID 71353007
2-chloroethanamine;ethylphosphonic acid
CID 87993583
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
2-chloroethoxyphosphonamidic acid
CID 154086077
2-chloroethoxymethyl(propan-2-yloxy)phosphinic acid
CID 141232807
1-chloro-2-[2-chloroethoxy(diethoxymethyl)phosphoryl]oxyethane
CID 131851562
CID 175712866
CID 175712866

Frequently Asked Questions

What is the IUPAC name of 2-chloroethylperoxy(ethyl)phosphinic acid?
The IUPAC name of 2-chloroethylperoxy(ethyl)phosphinic acid (CID 174902353) is 2-chloroethylperoxy(ethyl)phosphinic acid.
What is the SMILES notation for 2-chloroethylperoxy(ethyl)phosphinic acid?
The canonical SMILES for 2-chloroethylperoxy(ethyl)phosphinic acid is CCP(=O)(O)OOCCCl.
What is the InChIKey of 2-chloroethylperoxy(ethyl)phosphinic acid?
The InChIKey is UAUNKYGUHWBNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO4P/c1-2-10(6,7)9-8-4-3-5/h2-4H2,1H3,(H,6,7).
What are the key properties of 2-chloroethylperoxy(ethyl)phosphinic acid?
2-chloroethylperoxy(ethyl)phosphinic acid has a molecular weight of 188.55 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethylperoxy(ethyl)phosphinic acid is sourced from PubChem (CID 174902353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).