[(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium

C8H9FO4PS+ — CID 175504466

IUPAC[(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC[S@@](=O)Cc1ccccc1F
InChIInChI=1S/C8H8FO4PS/c9-8-4-2-1-3-7(8)5-15(12)6-13-14(10)11/h1-4H,5-6H2/p+1/t15-/m0/s1
InChIKeyURNUYJSXKHXWSF-HNNXBMFYSA-O
MW251.19 g/mol
LogP1.70
Rot. Bonds5

About [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium

[(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium (PubChem CID 175504466) has the molecular formula C8H9FO4PS+ and a molecular weight of 251.19 g/mol. Its IUPAC name is [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium
PubChem CID175504466
Molecular FormulaC8H9FO4PS+
Molecular Weight251.19 g/mol
Exact Mass250.99
IUPAC Name[(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OC[S@@](=O)Cc1ccccc1F
InChIInChI=1S/C8H8FO4PS/c9-8-4-2-1-3-7(8)5-15(12)6-13-14(10)11/h1-4H,5-6H2/p+1/t15-/m0/s1
InChIKeyURNUYJSXKHXWSF-HNNXBMFYSA-O
XLogP1.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium?
The IUPAC name of [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium (CID 175504466) is [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium?
The canonical SMILES for [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium is O=[P+](O)OC[S@@](=O)Cc1ccccc1F.
What is the InChIKey of [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium?
The InChIKey is URNUYJSXKHXWSF-HNNXBMFYSA-O. The full InChI is InChI=1S/C8H8FO4PS/c9-8-4-2-1-3-7(8)5-15(12)6-13-14(10)11/h1-4H,5-6H2/p+1/t15-/m0/s1.
What are the key properties of [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium?
[(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium has a molecular weight of 251.19 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(2-fluorophenyl)methylsulfinyl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175504466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).