[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate

C9H12F9O6P — CID 122456269

IUPAC[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C9H12F9O6P/c1-3-20-25(19,21-4-2)22-5-6(10,11)23-7(12,13)8(14,15)24-9(16,17)18/h3-5H2,1-2H3
InChIKeyHVSDAQXZZBNPQD-UHFFFAOYSA-N
MW418.15 g/mol
LogP4.52
Rot. Bonds11

About [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate

[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate (PubChem CID 122456269) has the molecular formula C9H12F9O6P and a molecular weight of 418.15 g/mol. Its IUPAC name is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate.

Molecular Properties

Compound Name[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate
PubChem CID122456269
Molecular FormulaC9H12F9O6P
Molecular Weight418.15 g/mol
Exact Mass418.02
IUPAC Name[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C9H12F9O6P/c1-3-20-25(19,21-4-2)22-5-6(10,11)23-7(12,13)8(14,15)24-9(16,17)18/h3-5H2,1-2H3
InChIKeyHVSDAQXZZBNPQD-UHFFFAOYSA-N
XLogP4.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.15
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] 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

(3-diethoxyphosphoryloxy-2,2-dimethylpropyl) diethyl phosphate
CID 518173
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
CID 122438608
triethyl phosphate;bis(trimethylsilane)
CID 175760856
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
sulfur trioxide;triethyl phosphate
CID 86745268
aluminum;triethyl phosphate;phosphate
CID 174993171
[diethoxyphosphoryloxy(fluoro)methyl] diethyl phosphate
CID 172720622
2-ethoxyethyl diethyl phosphate
CID 3052884
acetic acid;triethyl phosphate
CID 161446956
bis(2,2,3,3,3-pentafluoropropyl) propyl phosphate
CID 86232148
1-[2-(2-bromoethoxy)-1,1-difluoroethoxy]-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane
CID 21225352

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate?
The IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate (CID 122456269) is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate.
What is the SMILES notation for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate?
The canonical SMILES for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate is CCOP(=O)(OCC)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate?
The InChIKey is HVSDAQXZZBNPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F9O6P/c1-3-20-25(19,21-4-2)22-5-6(10,11)23-7(12,13)8(14,15)24-9(16,17)18/h3-5H2,1-2H3.
What are the key properties of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate?
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate has a molecular weight of 418.15 g/mol, XLogP of 4.52, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate is sourced from PubChem (CID 122456269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).