dimorpholin-4-ylphosphinic acid

C8H17N2O4P — CID 4193589

IUPACdimorpholin-4-ylphosphinic acid
SMILESO=P(O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C8H17N2O4P/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2,(H,11,12)
InChIKeyVWEFOEMASYDMKD-UHFFFAOYSA-N
MW236.21 g/mol
LogP-0.25
Rot. Bonds2

About dimorpholin-4-ylphosphinic acid

dimorpholin-4-ylphosphinic acid (PubChem CID 4193589) has the molecular formula C8H17N2O4P and a molecular weight of 236.21 g/mol. Its IUPAC name is dimorpholin-4-ylphosphinic acid.

Molecular Properties

Compound Namedimorpholin-4-ylphosphinic acid
PubChem CID4193589
Molecular FormulaC8H17N2O4P
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Namedimorpholin-4-ylphosphinic acid
SMILESO=P(O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C8H17N2O4P/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2,(H,11,12)
InChIKeyVWEFOEMASYDMKD-UHFFFAOYSA-N
XLogP-0.25
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimorpholin-4-ylphosphinic acid?
The IUPAC name of dimorpholin-4-ylphosphinic acid (CID 4193589) is dimorpholin-4-ylphosphinic acid.
What is the SMILES notation for dimorpholin-4-ylphosphinic acid?
The canonical SMILES for dimorpholin-4-ylphosphinic acid is O=P(O)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of dimorpholin-4-ylphosphinic acid?
The InChIKey is VWEFOEMASYDMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O4P/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2,(H,11,12).
What are the key properties of dimorpholin-4-ylphosphinic acid?
dimorpholin-4-ylphosphinic acid has a molecular weight of 236.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimorpholin-4-ylphosphinic acid is sourced from PubChem (CID 4193589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).