methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid

C4H8Cl3O4P — CID 19080533

IUPACmethoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid
SMILESCOC(C(Cl)(Cl)Cl)P(=O)(O)OC
InChIInChI=1S/C4H8Cl3O4P/c1-10-3(4(5,6)7)12(8,9)11-2/h3H,1-2H3,(H,8,9)
InChIKeyZPIQIEHDRHFZGD-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.16
Rot. Bonds3

About methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid

methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid (PubChem CID 19080533) has the molecular formula C4H8Cl3O4P and a molecular weight of 257.44 g/mol. Its IUPAC name is methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid.

Molecular Properties

Compound Namemethoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid
PubChem CID19080533
Molecular FormulaC4H8Cl3O4P
Molecular Weight257.44 g/mol
Exact Mass255.92
IUPAC Namemethoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid
SMILESCOC(C(Cl)(Cl)Cl)P(=O)(O)OC
InChIInChI=1S/C4H8Cl3O4P/c1-10-3(4(5,6)7)12(8,9)11-2/h3H,1-2H3,(H,8,9)
InChIKeyZPIQIEHDRHFZGD-UHFFFAOYSA-N
XLogP2.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid?
The IUPAC name of methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid (CID 19080533) is methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid.
What is the SMILES notation for methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid?
The canonical SMILES for methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid is COC(C(Cl)(Cl)Cl)P(=O)(O)OC.
What is the InChIKey of methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid?
The InChIKey is ZPIQIEHDRHFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl3O4P/c1-10-3(4(5,6)7)12(8,9)11-2/h3H,1-2H3,(H,8,9).
What are the key properties of methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid?
methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid has a molecular weight of 257.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2,2,2-trichloro-1-methoxyethyl)phosphinic acid is sourced from PubChem (CID 19080533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).