azanium fluorooxy(hexyl)phosphinate

C6H17FNO3P — CID 140648899

IUPACazanium fluorooxy(hexyl)phosphinate
SMILESCCCCCCP(=O)([O-])OF.[NH4+]
InChIInChI=1S/C6H14FO3P.H3N/c1-2-3-4-5-6-11(8,9)10-7;/h2-6H2,1H3,(H,8,9);1H3
InChIKeyLLWHRXSQCPXXHZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP2.40
Rot. Bonds6

About azanium fluorooxy(hexyl)phosphinate

azanium fluorooxy(hexyl)phosphinate (PubChem CID 140648899) has the molecular formula C6H17FNO3P and a molecular weight of 201.18 g/mol. Its IUPAC name is azanium fluorooxy(hexyl)phosphinate.

Molecular Properties

Compound Nameazanium fluorooxy(hexyl)phosphinate
PubChem CID140648899
Molecular FormulaC6H17FNO3P
Molecular Weight201.18 g/mol
Exact Mass201.09
IUPAC Nameazanium fluorooxy(hexyl)phosphinate
SMILESCCCCCCP(=O)([O-])OF.[NH4+]
InChIInChI=1S/C6H14FO3P.H3N/c1-2-3-4-5-6-11(8,9)10-7;/h2-6H2,1H3,(H,8,9);1H3
InChIKeyLLWHRXSQCPXXHZ-UHFFFAOYSA-N
XLogP2.40
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 52.40
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(hexyl)phosphinate 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 azanium fluorooxy(hexyl)phosphinate?
The IUPAC name of azanium fluorooxy(hexyl)phosphinate (CID 140648899) is azanium fluorooxy(hexyl)phosphinate.
What is the SMILES notation for azanium fluorooxy(hexyl)phosphinate?
The canonical SMILES for azanium fluorooxy(hexyl)phosphinate is CCCCCCP(=O)([O-])OF.[NH4+].
What is the InChIKey of azanium fluorooxy(hexyl)phosphinate?
The InChIKey is LLWHRXSQCPXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO3P.H3N/c1-2-3-4-5-6-11(8,9)10-7;/h2-6H2,1H3,(H,8,9);1H3.
What are the key properties of azanium fluorooxy(hexyl)phosphinate?
azanium fluorooxy(hexyl)phosphinate has a molecular weight of 201.18 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium fluorooxy(hexyl)phosphinate is sourced from PubChem (CID 140648899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).