Ethyl ethyl(trichloromethyl)phosphinate

C5H10Cl3O2P — CID 305826

IUPAC1-[ethyl(trichloromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(CC)C(Cl)(Cl)Cl
InChIInChI=1S/C5H10Cl3O2P/c1-3-10-11(9,4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyDQNPOMOLEGIMCX-UHFFFAOYSA-N
MW239.46 g/mol
LogP2.10
Rot. Bonds3

About Ethyl ethyl(trichloromethyl)phosphinate

Ethyl ethyl(trichloromethyl)phosphinate (PubChem CID 305826) has the molecular formula C5H10Cl3O2P and a molecular weight of 239.46 g/mol. Its IUPAC name is 1-[ethyl(trichloromethyl)phosphoryl]oxyethane.

Molecular Properties

Compound NameEthyl ethyl(trichloromethyl)phosphinate
PubChem CID305826
Molecular FormulaC5H10Cl3O2P
Molecular Weight239.46 g/mol
Exact Mass237.95
IUPAC Name1-[ethyl(trichloromethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(CC)C(Cl)(Cl)Cl
InChIInChI=1S/C5H10Cl3O2P/c1-3-10-11(9,4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyDQNPOMOLEGIMCX-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 Ethyl ethyl(trichloromethyl)phosphinate?
The IUPAC name of Ethyl ethyl(trichloromethyl)phosphinate (CID 305826) is 1-[ethyl(trichloromethyl)phosphoryl]oxyethane.
What is the SMILES notation for Ethyl ethyl(trichloromethyl)phosphinate?
The canonical SMILES for Ethyl ethyl(trichloromethyl)phosphinate is CCOP(=O)(CC)C(Cl)(Cl)Cl.
What is the InChIKey of Ethyl ethyl(trichloromethyl)phosphinate?
The InChIKey is DQNPOMOLEGIMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl3O2P/c1-3-10-11(9,4-2)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of Ethyl ethyl(trichloromethyl)phosphinate?
Ethyl ethyl(trichloromethyl)phosphinate has a molecular weight of 239.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl ethyl(trichloromethyl)phosphinate is sourced from PubChem (CID 305826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).