3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one

C8H12FO5P — CID 101027860

IUPAC3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one
SMILESCCOP(=O)(OCC)C1=C(F)C(=O)OC1
InChIInChI=1S/C8H12FO5P/c1-3-13-15(11,14-4-2)6-5-12-8(10)7(6)9/h3-5H2,1-2H3
InChIKeyUXEPLFIGUQWDSV-UHFFFAOYSA-N
MW238.15 g/mol
LogP1.99
Rot. Bonds5

About 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one

3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one (PubChem CID 101027860) has the molecular formula C8H12FO5P and a molecular weight of 238.15 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one
PubChem CID101027860
Molecular FormulaC8H12FO5P
Molecular Weight238.15 g/mol
Exact Mass238.04
IUPAC Name3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one
SMILESCCOP(=O)(OCC)C1=C(F)C(=O)OC1
InChIInChI=1S/C8H12FO5P/c1-3-13-15(11,14-4-2)6-5-12-8(10)7(6)9/h3-5H2,1-2H3
InChIKeyUXEPLFIGUQWDSV-UHFFFAOYSA-N
XLogP1.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.99
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 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one?
The IUPAC name of 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one (CID 101027860) is 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one.
What is the SMILES notation for 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one?
The canonical SMILES for 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one is CCOP(=O)(OCC)C1=C(F)C(=O)OC1.
What is the InChIKey of 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one?
The InChIKey is UXEPLFIGUQWDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FO5P/c1-3-13-15(11,14-4-2)6-5-12-8(10)7(6)9/h3-5H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one?
3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one has a molecular weight of 238.15 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-fluoro-2H-furan-5-one is sourced from PubChem (CID 101027860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).