fluorooxy(octyl)phosphinic acid

C8H18FO3P — CID 140648902

IUPACfluorooxy(octyl)phosphinic acid
SMILESCCCCCCCCP(=O)(O)OF
InChIInChI=1S/C8H18FO3P/c1-2-3-4-5-6-7-8-13(10,11)12-9/h2-8H2,1H3,(H,10,11)
InChIKeyXJTGCSQNPSJHEQ-UHFFFAOYSA-N
MW212.20 g/mol
LogP3.43
Rot. Bonds8

About fluorooxy(octyl)phosphinic acid

fluorooxy(octyl)phosphinic acid (PubChem CID 140648902) has the molecular formula C8H18FO3P and a molecular weight of 212.20 g/mol. Its IUPAC name is fluorooxy(octyl)phosphinic acid.

Molecular Properties

Compound Namefluorooxy(octyl)phosphinic acid
PubChem CID140648902
Molecular FormulaC8H18FO3P
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Namefluorooxy(octyl)phosphinic acid
SMILESCCCCCCCCP(=O)(O)OF
InChIInChI=1S/C8H18FO3P/c1-2-3-4-5-6-7-8-13(10,11)12-9/h2-8H2,1H3,(H,10,11)
InChIKeyXJTGCSQNPSJHEQ-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decyl(methoxy)phosphinic acid
CID 54568982
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
heptoxy(octadecyl)phosphinic acid
CID 139947141
hexyl(pentoxy)phosphinic acid
CID 139947056
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
hexylphosphonic acid;octylphosphonic acid
CID 155346901
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
dodecane;phosphoric acid
CID 88801558
azanium fluorooxy(octyl)phosphinate
CID 140648901
azanium fluorooxy(hexyl)phosphinate
CID 140648899

Frequently Asked Questions

What is the IUPAC name of fluorooxy(octyl)phosphinic acid?
The IUPAC name of fluorooxy(octyl)phosphinic acid (CID 140648902) is fluorooxy(octyl)phosphinic acid.
What is the SMILES notation for fluorooxy(octyl)phosphinic acid?
The canonical SMILES for fluorooxy(octyl)phosphinic acid is CCCCCCCCP(=O)(O)OF.
What is the InChIKey of fluorooxy(octyl)phosphinic acid?
The InChIKey is XJTGCSQNPSJHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO3P/c1-2-3-4-5-6-7-8-13(10,11)12-9/h2-8H2,1H3,(H,10,11).
What are the key properties of fluorooxy(octyl)phosphinic acid?
fluorooxy(octyl)phosphinic acid has a molecular weight of 212.20 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxy(octyl)phosphinic acid is sourced from PubChem (CID 140648902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).