sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate

C3H5Cl3NaO4P — CID 23694679

IUPACsodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate
SMILESCOP(=O)([O-])C(O)C(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C3H6Cl3O4P.Na/c1-10-11(8,9)2(7)3(4,5)6;/h2,7H,1H3,(H,8,9);/q;+1/p-1
InChIKeyZTFYIGDRNBAICX-UHFFFAOYSA-M
MW265.39 g/mol
LogP-2.12
Rot. Bonds2

About sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate

sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate (PubChem CID 23694679) has the molecular formula C3H5Cl3NaO4P and a molecular weight of 265.39 g/mol. Its IUPAC name is sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate.

Molecular Properties

Compound Namesodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate
PubChem CID23694679
Molecular FormulaC3H5Cl3NaO4P
Molecular Weight265.39 g/mol
Exact Mass263.89
IUPAC Namesodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate
SMILESCOP(=O)([O-])C(O)C(Cl)(Cl)Cl.[Na+]
InChIInChI=1S/C3H6Cl3O4P.Na/c1-10-11(8,9)2(7)3(4,5)6;/h2,7H,1H3,(H,8,9);/q;+1/p-1
InChIKeyZTFYIGDRNBAICX-UHFFFAOYSA-M
XLogP-2.12
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trichlorfon
CID 5853
Desmethyl-trichlorfon
CID 114513
(2,2,2-Trichloro-1-hydroxyethyl)phosphonic acid
CID 3013932
Phosphonic acid, (2,2-dichloro-1-hydroxyethyl)-, dimethyl ester
CID 99092
Diethyl P-(2,2,2-trichloro-1-hydroxyethyl)phosphonate
CID 92144
(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethanol
CID 6604183
Di(2H3)methyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
CID 124202788
(1-Hydroxy-2,2,2-trichloroethyl)methylphosphonic acid
CID 129771479
Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, methyl methyl-14C ester
CID 190329
Methyl 2,2,2-trichloroethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate
CID 154734502
2,2,2-Trichloro-1-[ethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol
CID 304047
Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester
CID 40566517

Frequently Asked Questions

What is the IUPAC name of sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate?
The IUPAC name of sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate (CID 23694679) is sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate.
What is the SMILES notation for sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate?
The canonical SMILES for sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate is COP(=O)([O-])C(O)C(Cl)(Cl)Cl.[Na+].
What is the InChIKey of sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate?
The InChIKey is ZTFYIGDRNBAICX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6Cl3O4P.Na/c1-10-11(8,9)2(7)3(4,5)6;/h2,7H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate?
sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate has a molecular weight of 265.39 g/mol, XLogP of -2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphinate is sourced from PubChem (CID 23694679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).