oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium

C6H11F3O5PS+ — CID 130464344

IUPACoxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium
SMILESCC(C)O[P+](=O)C(OS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C6H11F3O5PS/c1-4(2)13-15(10)5(6(7,8)9)14-16(3,11)12/h4-5H,1-3H3/q+1
InChIKeySGMJOXJCVGCXAH-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.02
Rot. Bonds5

About oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium

oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium (PubChem CID 130464344) has the molecular formula C6H11F3O5PS+ and a molecular weight of 283.18 g/mol. Its IUPAC name is oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium.

Molecular Properties

Compound Nameoxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium
PubChem CID130464344
Molecular FormulaC6H11F3O5PS+
Molecular Weight283.18 g/mol
Exact Mass283.00
IUPAC Nameoxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium
SMILESCC(C)O[P+](=O)C(OS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C6H11F3O5PS/c1-4(2)13-15(10)5(6(7,8)9)14-16(3,11)12/h4-5H,1-3H3/q+1
InChIKeySGMJOXJCVGCXAH-UHFFFAOYSA-N
XLogP2.02
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium?
The IUPAC name of oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium (CID 130464344) is oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium.
What is the SMILES notation for oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium?
The canonical SMILES for oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium is CC(C)O[P+](=O)C(OS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium?
The InChIKey is SGMJOXJCVGCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O5PS/c1-4(2)13-15(10)5(6(7,8)9)14-16(3,11)12/h4-5H,1-3H3/q+1.
What are the key properties of oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium?
oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium has a molecular weight of 283.18 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-propan-2-yloxy-(2,2,2-trifluoro-1-methylsulfonyloxyethyl)phosphanium is sourced from PubChem (CID 130464344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).