fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium

C3H5FO5PS+ — CID 167046445

IUPACfluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium
SMILESCC1OS(=O)OC1O[P+](=O)F
InChIInChI=1S/C3H5FO5PS/c1-2-3(7-10(4)5)9-11(6)8-2/h2-3H,1H3/q+1
InChIKeyBUHIKENVLIJUFW-UHFFFAOYSA-N
MW203.11 g/mol
LogP0.97
Rot. Bonds2

About fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium

fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium (PubChem CID 167046445) has the molecular formula C3H5FO5PS+ and a molecular weight of 203.11 g/mol. Its IUPAC name is fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Namefluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium
PubChem CID167046445
Molecular FormulaC3H5FO5PS+
Molecular Weight203.11 g/mol
Exact Mass202.96
IUPAC Namefluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium
SMILESCC1OS(=O)OC1O[P+](=O)F
InChIInChI=1S/C3H5FO5PS/c1-2-3(7-10(4)5)9-11(6)8-2/h2-3H,1H3/q+1
InChIKeyBUHIKENVLIJUFW-UHFFFAOYSA-N
XLogP0.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium?
The IUPAC name of fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium (CID 167046445) is fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium.
What is the SMILES notation for fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium?
The canonical SMILES for fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium is CC1OS(=O)OC1O[P+](=O)F.
What is the InChIKey of fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium?
The InChIKey is BUHIKENVLIJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO5PS/c1-2-3(7-10(4)5)9-11(6)8-2/h2-3H,1H3/q+1.
What are the key properties of fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium?
fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium has a molecular weight of 203.11 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[(5-methyl-2-oxo-1,3,2-dioxathiolan-4-yl)oxy]-oxophosphanium is sourced from PubChem (CID 167046445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).