[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate

C9H21FO8P2 — CID 172720622

IUPAC[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC(F)OP(=O)(OCC)OCC
InChIInChI=1S/C9H21FO8P2/c1-5-13-19(11,14-6-2)17-9(10)18-20(12,15-7-3)16-8-4/h9H,5-8H2,1-4H3
InChIKeyGLUHUZFLJSIBPF-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.63
Rot. Bonds12

About [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate

[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate (PubChem CID 172720622) has the molecular formula C9H21FO8P2 and a molecular weight of 338.21 g/mol. Its IUPAC name is [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate.

Molecular Properties

Compound Name[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
PubChem CID172720622
Molecular FormulaC9H21FO8P2
Molecular Weight338.21 g/mol
Exact Mass338.07
IUPAC Name[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC(F)OP(=O)(OCC)OCC
InChIInChI=1S/C9H21FO8P2/c1-5-13-19(11,14-6-2)17-9(10)18-20(12,15-7-3)16-8-4/h9H,5-8H2,1-4H3
InChIKeyGLUHUZFLJSIBPF-UHFFFAOYSA-N
XLogP3.63
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate 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

diethyl 1-fluoropropyl phosphate
CID 174844382
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
triethyl phosphate;bis(trimethylsilane)
CID 175760856
(1,2-dibromo-2,2-dichloroethyl) diethyl phosphate
CID 21398776
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
sulfur trioxide;triethyl phosphate
CID 86745268
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
aluminum;triethyl phosphate;phosphate
CID 174993171
1-(aziridin-1-yl)propan-2-yl diethyl phosphate
CID 2784441
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
acetic acid;triethyl phosphate
CID 161446956

Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate?
The IUPAC name of [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate (CID 172720622) is [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate.
What is the SMILES notation for [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate?
The canonical SMILES for [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate is CCOP(=O)(OCC)OC(F)OP(=O)(OCC)OCC.
What is the InChIKey of [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate?
The InChIKey is GLUHUZFLJSIBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FO8P2/c1-5-13-19(11,14-6-2)17-9(10)18-20(12,15-7-3)16-8-4/h9H,5-8H2,1-4H3.
What are the key properties of [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate?
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate has a molecular weight of 338.21 g/mol, XLogP of 3.63, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate is sourced from PubChem (CID 172720622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).