fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate

C8H35BF10N2O18P6 — CID 173216089

IUPACfluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.F[B-](F)(F)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P([O-])(O)F
InChIInChI=1S/2C4H12N.BF4.6FH2O3P/c2*1-5(2,3)4;2-1(3,4)5;6*1-5(2,3)4/h2*1-4H3;;6*(H2,2,3,4)/q2*+1;-1;;;;;;/p-1
InChIKeyQQXRVWZBHDYNPG-UHFFFAOYSA-M
MW834.00 g/mol
LogP1.60
Rot. Bonds

About fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate

fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate (PubChem CID 173216089) has the molecular formula C8H35BF10N2O18P6 and a molecular weight of 834.00 g/mol. Its IUPAC name is fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate.

Molecular Properties

Compound Namefluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate
PubChem CID173216089
Molecular FormulaC8H35BF10N2O18P6
Molecular Weight834.00 g/mol
Exact Mass834.02
IUPAC Namefluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.F[B-](F)(F)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P([O-])(O)F
InChIInChI=1S/2C4H12N.BF4.6FH2O3P/c2*1-5(2,3)4;2-1(3,4)5;6*1-5(2,3)4/h2*1-4H3;;6*(H2,2,3,4)/q2*+1;-1;;;;;;/p-1
InChIKeyQQXRVWZBHDYNPG-UHFFFAOYSA-M
XLogP1.60
TPSA348.01 Ų
H-Bond Donors11
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.00
LogP ≤ 51.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate?
The IUPAC name of fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate (CID 173216089) is fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate.
What is the SMILES notation for fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate?
The canonical SMILES for fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate is C[N+](C)(C)C.C[N+](C)(C)C.F[B-](F)(F)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P([O-])(O)F.
What is the InChIKey of fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate?
The InChIKey is QQXRVWZBHDYNPG-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H12N.BF4.6FH2O3P/c2*1-5(2,3)4;2-1(3,4)5;6*1-5(2,3)4/h2*1-4H3;;6*(H2,2,3,4)/q2*+1;-1;;;;;;/p-1.
What are the key properties of fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate?
fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate has a molecular weight of 834.00 g/mol, XLogP of 1.60, 0 rotatable bonds, 11 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(hydroxy)phosphinate;fluorophosphonic acid;bis(tetramethylazanium);tetrafluoroborate is sourced from PubChem (CID 173216089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).