2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane

C8H16FO5P — CID 89042432

IUPAC2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane
SMILESCCOP(=O)(OCC)C(F)C1OC(C)O1
InChIInChI=1S/C8H16FO5P/c1-4-11-15(10,12-5-2)7(9)8-13-6(3)14-8/h6-8H,4-5H2,1-3H3
InChIKeyRNUQJJCYBZVDPU-UHFFFAOYSA-N
MW242.18 g/mol
LogP2.27
Rot. Bonds6

About 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane

2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane (PubChem CID 89042432) has the molecular formula C8H16FO5P and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane
PubChem CID89042432
Molecular FormulaC8H16FO5P
Molecular Weight242.18 g/mol
Exact Mass242.07
IUPAC Name2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane
SMILESCCOP(=O)(OCC)C(F)C1OC(C)O1
InChIInChI=1S/C8H16FO5P/c1-4-11-15(10,12-5-2)7(9)8-13-6(3)14-8/h6-8H,4-5H2,1-3H3
InChIKeyRNUQJJCYBZVDPU-UHFFFAOYSA-N
XLogP2.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane with MolForge

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

Launch Full Analysis

Related Compounds

1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
(2R,3R,4S,5S,6R)-6-[(2R)-2-diethoxyphosphoryl-2-fluoroethyl]oxane-2,3,4,5-tetrol
CID 102370910
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
1-diethoxyphosphoryl-1-fluoro-4-methylpentane
CID 10681487
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
diethyl 1-fluoropropyl phosphate
CID 174844382
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane?
The IUPAC name of 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane (CID 89042432) is 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane.
What is the SMILES notation for 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane?
The canonical SMILES for 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane is CCOP(=O)(OCC)C(F)C1OC(C)O1.
What is the InChIKey of 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane?
The InChIKey is RNUQJJCYBZVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FO5P/c1-4-11-15(10,12-5-2)7(9)8-13-6(3)14-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane?
2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane has a molecular weight of 242.18 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane is sourced from PubChem (CID 89042432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).