azanium fluorooxy(octyl)phosphinate

C8H21FNO3P — CID 140648901

IUPACazanium fluorooxy(octyl)phosphinate
SMILESCCCCCCCCP(=O)([O-])OF.[NH4+]
InChIInChI=1S/C8H18FO3P.H3N/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h2-8H2,1H3,(H,10,11);1H3
InChIKeyQQKKCUPDYSLSGA-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.18
Rot. Bonds8

About azanium fluorooxy(octyl)phosphinate

azanium fluorooxy(octyl)phosphinate (PubChem CID 140648901) has the molecular formula C8H21FNO3P and a molecular weight of 229.23 g/mol. Its IUPAC name is azanium fluorooxy(octyl)phosphinate.

Molecular Properties

Compound Nameazanium fluorooxy(octyl)phosphinate
PubChem CID140648901
Molecular FormulaC8H21FNO3P
Molecular Weight229.23 g/mol
Exact Mass229.12
IUPAC Nameazanium fluorooxy(octyl)phosphinate
SMILESCCCCCCCCP(=O)([O-])OF.[NH4+]
InChIInChI=1S/C8H18FO3P.H3N/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h2-8H2,1H3,(H,10,11);1H3
InChIKeyQQKKCUPDYSLSGA-UHFFFAOYSA-N
XLogP3.18
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azanium fluorooxy(octyl)phosphinate 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

azanium fluorooxy(hexyl)phosphinate
CID 140648899
sodium ethoxy(tridecyl)phosphinate
CID 90661205
hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875
hexoxy(hexyl)phosphinate;nickel(2+)
CID 87135978
cobalt(3+);hexoxy(hexyl)phosphinate
CID 140747230
sodium octoxy(octyl)phosphinate
CID 139819934
fluorooxy(octyl)phosphinic acid
CID 140648902
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
2-hydroxyethoxy(tetradecyl)phosphinate
CID 71443061
aluminum tris(didecylphosphinate)
CID 175205611
bis(dioctylphosphinate);nickel(2+)
CID 22743879
sodium dioctylphosphinate
CID 23691904

Frequently Asked Questions

What is the IUPAC name of azanium fluorooxy(octyl)phosphinate?
The IUPAC name of azanium fluorooxy(octyl)phosphinate (CID 140648901) is azanium fluorooxy(octyl)phosphinate.
What is the SMILES notation for azanium fluorooxy(octyl)phosphinate?
The canonical SMILES for azanium fluorooxy(octyl)phosphinate is CCCCCCCCP(=O)([O-])OF.[NH4+].
What is the InChIKey of azanium fluorooxy(octyl)phosphinate?
The InChIKey is QQKKCUPDYSLSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO3P.H3N/c1-2-3-4-5-6-7-8-13(10,11)12-9;/h2-8H2,1H3,(H,10,11);1H3.
What are the key properties of azanium fluorooxy(octyl)phosphinate?
azanium fluorooxy(octyl)phosphinate has a molecular weight of 229.23 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium fluorooxy(octyl)phosphinate is sourced from PubChem (CID 140648901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).