2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine

C12H19FNO3P — CID 12749368

IUPAC2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine
SMILESCCOP(=O)(CC(N)c1ccc(F)cc1)OCC
InChIInChI=1S/C12H19FNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyAIZUXIQBECAPIH-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.09
Rot. Bonds7

About 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine

2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine (PubChem CID 12749368) has the molecular formula C12H19FNO3P and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine
PubChem CID12749368
Molecular FormulaC12H19FNO3P
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine
SMILESCCOP(=O)(CC(N)c1ccc(F)cc1)OCC
InChIInChI=1S/C12H19FNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyAIZUXIQBECAPIH-UHFFFAOYSA-N
XLogP3.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine (CID 12749368) is 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine is CCOP(=O)(CC(N)c1ccc(F)cc1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine?
The InChIKey is AIZUXIQBECAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine?
2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine has a molecular weight of 275.26 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 12749368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).