diethoxyphosphoryl(furan-2-yl)methanamine

C9H16NO4P — CID 11276339

IUPACdiethoxyphosphoryl(furan-2-yl)methanamine
SMILESCCOP(=O)(OCC)C(N)c1ccco1
InChIInChI=1S/C9H16NO4P/c1-3-13-15(11,14-4-2)9(10)8-6-5-7-12-8/h5-7,9H,3-4,10H2,1-2H3
InChIKeyXGAWJTYLCBVCRN-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.50
Rot. Bonds6

About diethoxyphosphoryl(furan-2-yl)methanamine

diethoxyphosphoryl(furan-2-yl)methanamine (PubChem CID 11276339) has the molecular formula C9H16NO4P and a molecular weight of 233.20 g/mol. Its IUPAC name is diethoxyphosphoryl(furan-2-yl)methanamine.

Molecular Properties

Compound Namediethoxyphosphoryl(furan-2-yl)methanamine
PubChem CID11276339
Molecular FormulaC9H16NO4P
Molecular Weight233.20 g/mol
Exact Mass233.08
IUPAC Namediethoxyphosphoryl(furan-2-yl)methanamine
SMILESCCOP(=O)(OCC)C(N)c1ccco1
InChIInChI=1S/C9H16NO4P/c1-3-13-15(11,14-4-2)9(10)8-6-5-7-12-8/h5-7,9H,3-4,10H2,1-2H3
InChIKeyXGAWJTYLCBVCRN-UHFFFAOYSA-N
XLogP2.50
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl(furan-2-yl)methanamine?
The IUPAC name of diethoxyphosphoryl(furan-2-yl)methanamine (CID 11276339) is diethoxyphosphoryl(furan-2-yl)methanamine.
What is the SMILES notation for diethoxyphosphoryl(furan-2-yl)methanamine?
The canonical SMILES for diethoxyphosphoryl(furan-2-yl)methanamine is CCOP(=O)(OCC)C(N)c1ccco1.
What is the InChIKey of diethoxyphosphoryl(furan-2-yl)methanamine?
The InChIKey is XGAWJTYLCBVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO4P/c1-3-13-15(11,14-4-2)9(10)8-6-5-7-12-8/h5-7,9H,3-4,10H2,1-2H3.
What are the key properties of diethoxyphosphoryl(furan-2-yl)methanamine?
diethoxyphosphoryl(furan-2-yl)methanamine has a molecular weight of 233.20 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl(furan-2-yl)methanamine is sourced from PubChem (CID 11276339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).