methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid

C3H6F3O5PS — CID 54262047

IUPACmethyl(trifluoromethylsulfonyloxymethyl)phosphinic acid
SMILESCP(=O)(O)COS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3O5PS/c1-12(7,8)2-11-13(9,10)3(4,5)6/h2H2,1H3,(H,7,8)
InChIKeyREESXHPJMWBLKE-UHFFFAOYSA-N
MW242.11 g/mol
LogP0.71
Rot. Bonds3

About methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid

methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid (PubChem CID 54262047) has the molecular formula C3H6F3O5PS and a molecular weight of 242.11 g/mol. Its IUPAC name is methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(trifluoromethylsulfonyloxymethyl)phosphinic acid
PubChem CID54262047
Molecular FormulaC3H6F3O5PS
Molecular Weight242.11 g/mol
Exact Mass241.96
IUPAC Namemethyl(trifluoromethylsulfonyloxymethyl)phosphinic acid
SMILESCP(=O)(O)COS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3O5PS/c1-12(7,8)2-11-13(9,10)3(4,5)6/h2H2,1H3,(H,7,8)
InChIKeyREESXHPJMWBLKE-UHFFFAOYSA-N
XLogP0.71
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze methyl(trifluoromethylsulfonyloxymethyl)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

Frequently Asked Questions

What is the IUPAC name of methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid?
The IUPAC name of methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid (CID 54262047) is methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid.
What is the SMILES notation for methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid?
The canonical SMILES for methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid is CP(=O)(O)COS(=O)(=O)C(F)(F)F.
What is the InChIKey of methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid?
The InChIKey is REESXHPJMWBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O5PS/c1-12(7,8)2-11-13(9,10)3(4,5)6/h2H2,1H3,(H,7,8).
What are the key properties of methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid?
methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid has a molecular weight of 242.11 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(trifluoromethylsulfonyloxymethyl)phosphinic acid is sourced from PubChem (CID 54262047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).