ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium

C5H7FO5P+ — CID 130463811

IUPACethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium
SMILESCCO[P+](=O)C1OC(=O)OC1F
InChIInChI=1S/C5H7FO5P/c1-2-9-12(8)4-3(6)10-5(7)11-4/h3-4H,2H2,1H3/q+1
InChIKeyMBSHMUAMTKKXQC-UHFFFAOYSA-N
MW197.08 g/mol
LogP1.55
Rot. Bonds3

About ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium

ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium (PubChem CID 130463811) has the molecular formula C5H7FO5P+ and a molecular weight of 197.08 g/mol. Its IUPAC name is ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium.

Molecular Properties

Compound Nameethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium
PubChem CID130463811
Molecular FormulaC5H7FO5P+
Molecular Weight197.08 g/mol
Exact Mass197.00
IUPAC Nameethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium
SMILESCCO[P+](=O)C1OC(=O)OC1F
InChIInChI=1S/C5H7FO5P/c1-2-9-12(8)4-3(6)10-5(7)11-4/h3-4H,2H2,1H3/q+1
InChIKeyMBSHMUAMTKKXQC-UHFFFAOYSA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 51.55
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 ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium?
The IUPAC name of ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium (CID 130463811) is ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium.
What is the SMILES notation for ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium?
The canonical SMILES for ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium is CCO[P+](=O)C1OC(=O)OC1F.
What is the InChIKey of ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium?
The InChIKey is MBSHMUAMTKKXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO5P/c1-2-9-12(8)4-3(6)10-5(7)11-4/h3-4H,2H2,1H3/q+1.
What are the key properties of ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium?
ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium has a molecular weight of 197.08 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(5-fluoro-2-oxo-1,3-dioxolan-4-yl)-oxophosphanium is sourced from PubChem (CID 130463811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).