triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium

C21H18Cl3NOP+ — CID 4061823

IUPACtriphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium
SMILESO=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C21H17Cl3NOP/c22-21(23,24)20(26)25-16-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1
InChIKeyOGHISQGLKNESSK-UHFFFAOYSA-O
MW437.71 g/mol
LogP4.42
Rot. Bonds5

About triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium

triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium (PubChem CID 4061823) has the molecular formula C21H18Cl3NOP+ and a molecular weight of 437.71 g/mol. Its IUPAC name is triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium
PubChem CID4061823
Molecular FormulaC21H18Cl3NOP+
Molecular Weight437.71 g/mol
Exact Mass436.02
IUPAC Nametriphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium
SMILESO=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C21H17Cl3NOP/c22-21(23,24)20(26)25-16-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1
InChIKeyOGHISQGLKNESSK-UHFFFAOYSA-O
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.71
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium?
The IUPAC name of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium (CID 4061823) is triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium?
The canonical SMILES for triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium is O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium?
The InChIKey is OGHISQGLKNESSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H17Cl3NOP/c22-21(23,24)20(26)25-16-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2/p+1.
What are the key properties of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium?
triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium has a molecular weight of 437.71 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium is sourced from PubChem (CID 4061823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).