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

C23H22F3INOP — CID 23657252

IUPACtriphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
SMILESC[C@@H](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/t18-;/m0./s1
InChIKeyGXIFGGMYCIQMJN-FERBBOLQSA-N
MW543.31 g/mol
LogP1.05
Rot. Bonds6

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

triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide (PubChem CID 23657252) has the molecular formula C23H22F3INOP and a molecular weight of 543.31 g/mol. Its IUPAC name is triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide.

Molecular Properties

Compound Nametriphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
PubChem CID23657252
Molecular FormulaC23H22F3INOP
Molecular Weight543.31 g/mol
Exact Mass543.04
IUPAC Nametriphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
SMILESC[C@@H](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/t18-;/m0./s1
InChIKeyGXIFGGMYCIQMJN-FERBBOLQSA-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'}

Analyze triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide 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 triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
The IUPAC name of triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide (CID 23657252) is triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide.
What is the SMILES notation for triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
The canonical SMILES for triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide is C[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F.[I-].
What is the InChIKey of triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
The InChIKey is GXIFGGMYCIQMJN-FERBBOLQSA-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/t18-;/m0./s1.
What are the key properties of triphenyl-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide?
triphenyl-[(2S)-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-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide is sourced from PubChem (CID 23657252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).