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

C21H18Cl4NOP — CID 45048470

IUPACtriphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride
SMILESO=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C21H17Cl3NOP.ClH/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;1H
InChIKeyDYNQMUPLSDSTOG-UHFFFAOYSA-N
MW473.17 g/mol
LogP1.43
Rot. Bonds5

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

triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride (PubChem CID 45048470) has the molecular formula C21H18Cl4NOP and a molecular weight of 473.17 g/mol. Its IUPAC name is triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride.

Molecular Properties

Compound Nametriphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride
PubChem CID45048470
Molecular FormulaC21H18Cl4NOP
Molecular Weight473.17 g/mol
Exact Mass470.99
IUPAC Nametriphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride
SMILESO=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C21H17Cl3NOP.ClH/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;1H
InChIKeyDYNQMUPLSDSTOG-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.17
LogP ≤ 51.43
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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Related Compounds

((2-Chloro-acetylamino)-methyl)-triphenyl-phosphonium, chloride
CID 45048468
Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
(2,2-Dichloro-1-formamidoethenyl)-triphenylphosphanium perchlorate
CID 11663359
(1-Acetamido-2,2-dichloroethenyl)(triphenyl)phosphanium perchlorate
CID 45048104
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
(1-Acetylamino-2,2-dichloro-vinyl)-triphenyl-phosphonium, iodide
CID 126960209
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
(2,2-Dimethylpropanoylamino)methyl-triphenylphosphanium
CID 4061676
(1-Acetamido-2,2-dichloroethenyl)-triphenylphosphanium chloride
CID 10983247
Triphenyl(pivalamidomethyl)phosphonium chloride
CID 11964999
N-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]-2,2,2-trifluoroacetamide
CID 140527057

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride?
The IUPAC name of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride (CID 45048470) is triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride.
What is the SMILES notation for triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride?
The canonical SMILES for triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride is O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.[Cl-].
What is the InChIKey of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride?
The InChIKey is DYNQMUPLSDSTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3NOP.ClH/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;1H.
What are the key properties of triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride?
triphenyl-[[(2,2,2-trichloroacetyl)amino]methyl]phosphanium chloride has a molecular weight of 473.17 g/mol, XLogP of 1.43, 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 chloride is sourced from PubChem (CID 45048470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).