fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium

C10H22F4NO4P — CID 175262546

IUPACfluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=P([O-])(OF)OCC(F)(F)F
InChIInChI=1S/C8H20N.C2H3F4O4P/c1-5-9(6-2,7-3)8-4;3-2(4,5)1-9-11(7,8)10-6/h5-8H2,1-4H3;1H2,(H,7,8)/q+1;/p-1
InChIKeyQMDMCCJXQGTGQJ-UHFFFAOYSA-M
MW327.26 g/mol
LogP2.82
Rot. Bonds7

About fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium

fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium (PubChem CID 175262546) has the molecular formula C10H22F4NO4P and a molecular weight of 327.26 g/mol. Its IUPAC name is fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium.

Molecular Properties

Compound Namefluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium
PubChem CID175262546
Molecular FormulaC10H22F4NO4P
Molecular Weight327.26 g/mol
Exact Mass327.12
IUPAC Namefluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.O=P([O-])(OF)OCC(F)(F)F
InChIInChI=1S/C8H20N.C2H3F4O4P/c1-5-9(6-2,7-3)8-4;3-2(4,5)1-9-11(7,8)10-6/h5-8H2,1-4H3;1H2,(H,7,8)/q+1;/p-1
InChIKeyQMDMCCJXQGTGQJ-UHFFFAOYSA-M
XLogP2.82
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
CID 175761195
bis(2,2,2-trifluoroethyl) phosphate;ethyl-di(propan-2-yl)azanium
CID 162246808
phosphonato phosphate;tetrakis(tetraethylazanium)
CID 140535854
dibutyl phosphate;tetraethylazanium
CID 156853023
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
lithium fluoro hexyl phosphate
CID 23706071
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
CID 170100771
ethane;1,1,1-trifluoro-2-[methylsulfanylmethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
CID 176965535
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
dibutyl 2,2,2-trifluoroethyl phosphate
CID 6424864

Frequently Asked Questions

What is the IUPAC name of fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium?
The IUPAC name of fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium (CID 175262546) is fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium.
What is the SMILES notation for fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium?
The canonical SMILES for fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium is CC[N+](CC)(CC)CC.O=P([O-])(OF)OCC(F)(F)F.
What is the InChIKey of fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium?
The InChIKey is QMDMCCJXQGTGQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C2H3F4O4P/c1-5-9(6-2,7-3)8-4;3-2(4,5)1-9-11(7,8)10-6/h5-8H2,1-4H3;1H2,(H,7,8)/q+1;/p-1.
What are the key properties of fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium?
fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium has a molecular weight of 327.26 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium is sourced from PubChem (CID 175262546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).