[[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium

C9H14F3NO6P+ — CID 57139101

IUPAC[[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium
SMILESCCOCCOC(=O)CN(C[P+](=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C9H13F3NO6P/c1-2-18-3-4-19-7(14)5-13(6-20(16)17)8(15)9(10,11)12/h2-6H2,1H3/p+1
InChIKeyGBXAKWBWIKHEAH-UHFFFAOYSA-O
MW320.18 g/mol
LogP0.65
Rot. Bonds8

About [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium

[[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium (PubChem CID 57139101) has the molecular formula C9H14F3NO6P+ and a molecular weight of 320.18 g/mol. Its IUPAC name is [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium
PubChem CID57139101
Molecular FormulaC9H14F3NO6P+
Molecular Weight320.18 g/mol
Exact Mass320.05
IUPAC Name[[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium
SMILESCCOCCOC(=O)CN(C[P+](=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C9H13F3NO6P/c1-2-18-3-4-19-7(14)5-13(6-20(16)17)8(15)9(10,11)12/h2-6H2,1H3/p+1
InChIKeyGBXAKWBWIKHEAH-UHFFFAOYSA-O
XLogP0.65
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium 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 [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium?
The IUPAC name of [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium (CID 57139101) is [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium.
What is the SMILES notation for [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium?
The canonical SMILES for [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium is CCOCCOC(=O)CN(C[P+](=O)O)C(=O)C(F)(F)F.
What is the InChIKey of [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium?
The InChIKey is GBXAKWBWIKHEAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13F3NO6P/c1-2-18-3-4-19-7(14)5-13(6-20(16)17)8(15)9(10,11)12/h2-6H2,1H3/p+1.
What are the key properties of [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium?
[[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium has a molecular weight of 320.18 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-ethoxyethoxy)-2-oxoethyl]-(2,2,2-trifluoroacetyl)amino]methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 57139101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).