triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide

C23H22F3INOP — CID 74081310

IUPACtriphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F.[I-]
InChIInChI=1S/C23H21F3NOP.HI/c1-18(27-22(28)23(24,25)26)17-29(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18H,17H2,1H3;1H
InChIKeyGXIFGGMYCIQMJN-UHFFFAOYSA-N
MW543.31 g/mol
LogP1.05
Rot. Bonds6

About triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide

triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide (PubChem CID 74081310) has the molecular formula C23H22F3INOP and a molecular weight of 543.31 g/mol. Its IUPAC name is triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide.

Molecular Properties

Compound Nametriphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
PubChem CID74081310
Molecular FormulaC23H22F3INOP
Molecular Weight543.31 g/mol
Exact Mass543.04
IUPAC Nametriphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F.[I-]
InChIInChI=1S/C23H21F3NOP.HI/c1-18(27-22(28)23(24,25)26)17-29(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18H,17H2,1H3;1H
InChIKeyGXIFGGMYCIQMJN-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
dibenzyl [2-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentyl] phosphate
CID 147027124
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
[(2S)-2-[[3,5-bis(trifluoromethyl)benzoyl]amino]propyl]-methyl-diphenylphosphanium
CID 162539902
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
(3S)-4-oxo-4-phenyl-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 102391267
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
The IUPAC name of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide (CID 74081310) is triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide.
What is the SMILES notation for triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
The canonical SMILES for triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide is CC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F.[I-].
What is the InChIKey of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
The InChIKey is GXIFGGMYCIQMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3NOP.HI/c1-18(27-22(28)23(24,25)26)17-29(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18H,17H2,1H3;1H.
What are the key properties of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide has a molecular weight of 543.31 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide is sourced from PubChem (CID 74081310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).