(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate

C10H21F3O7P2 — CID 13026280

IUPAC(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C(F)(F)F)P(=O)(OCC)OCC
InChIInChI=1S/C10H21F3O7P2/c1-5-16-21(14,17-6-2)9(10(11,12)13)20-22(15,18-7-3)19-8-4/h9H,5-8H2,1-4H3
InChIKeyDWDGISUGOSERQL-UHFFFAOYSA-N
MW372.21 g/mol
LogP4.34
Rot. Bonds11

About (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate

(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate (PubChem CID 13026280) has the molecular formula C10H21F3O7P2 and a molecular weight of 372.21 g/mol. Its IUPAC name is (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate.

Molecular Properties

Compound Name(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
PubChem CID13026280
Molecular FormulaC10H21F3O7P2
Molecular Weight372.21 g/mol
Exact Mass372.07
IUPAC Name(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(C(F)(F)F)P(=O)(OCC)OCC
InChIInChI=1S/C10H21F3O7P2/c1-5-16-21(14,17-6-2)9(10(11,12)13)20-22(15,18-7-3)19-8-4/h9H,5-8H2,1-4H3
InChIKeyDWDGISUGOSERQL-UHFFFAOYSA-N
XLogP4.34
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) 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

Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate?
The IUPAC name of (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate (CID 13026280) is (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate.
What is the SMILES notation for (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate?
The canonical SMILES for (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate is CCOP(=O)(OCC)OC(C(F)(F)F)P(=O)(OCC)OCC.
What is the InChIKey of (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate?
The InChIKey is DWDGISUGOSERQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3O7P2/c1-5-16-21(14,17-6-2)9(10(11,12)13)20-22(15,18-7-3)19-8-4/h9H,5-8H2,1-4H3.
What are the key properties of (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate?
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate has a molecular weight of 372.21 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate is sourced from PubChem (CID 13026280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).