4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one

C7H8FO7P — CID 169009530

IUPAC4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
SMILESO=C1OC(F)C(/C=C/OP2(=O)OCCO2)O1
InChIInChI=1S/C7H8FO7P/c8-6-5(14-7(9)15-6)1-2-11-16(10)12-3-4-13-16/h1-2,5-6H,3-4H2/b2-1+
InChIKeyVIGRXHIPOCIWSX-OWOJBTEDSA-N
MW254.11 g/mol
LogP1.50
Rot. Bonds3

About 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one

4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one (PubChem CID 169009530) has the molecular formula C7H8FO7P and a molecular weight of 254.11 g/mol. Its IUPAC name is 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
PubChem CID169009530
Molecular FormulaC7H8FO7P
Molecular Weight254.11 g/mol
Exact Mass254.00
IUPAC Name4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
SMILESO=C1OC(F)C(/C=C/OP2(=O)OCCO2)O1
InChIInChI=1S/C7H8FO7P/c8-6-5(14-7(9)15-6)1-2-11-16(10)12-3-4-13-16/h1-2,5-6H,3-4H2/b2-1+
InChIKeyVIGRXHIPOCIWSX-OWOJBTEDSA-N
XLogP1.50
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one (CID 169009530) is 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one is O=C1OC(F)C(/C=C/OP2(=O)OCCO2)O1.
What is the InChIKey of 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The InChIKey is VIGRXHIPOCIWSX-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H8FO7P/c8-6-5(14-7(9)15-6)1-2-11-16(10)12-3-4-13-16/h1-2,5-6H,3-4H2/b2-1+.
What are the key properties of 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one has a molecular weight of 254.11 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 169009530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).