triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium

C29H32F3NOP+ — CID 102518800

IUPACtriphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium
SMILESCC(CCC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C29H31F3NOP/c1-24(33-28(34)29(30,31)32)16-8-3-2-4-15-23-35(25-17-9-5-10-18-25,26-19-11-6-12-20-26)27-21-13-7-14-22-27/h2,4-7,9-14,17-22,24H,3,8,15-16,23H2,1H3/p+1/b4-2-
InChIKeyRGLXGLONCFFIPP-RQOWECAXSA-O
MW498.55 g/mol
LogP6.16
Rot. Bonds11

About triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium

triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium (PubChem CID 102518800) has the molecular formula C29H32F3NOP+ and a molecular weight of 498.55 g/mol. Its IUPAC name is triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium
PubChem CID102518800
Molecular FormulaC29H32F3NOP+
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Nametriphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium
SMILESCC(CCC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C29H31F3NOP/c1-24(33-28(34)29(30,31)32)16-8-3-2-4-15-23-35(25-17-9-5-10-18-25,26-19-11-6-12-20-26)27-21-13-7-14-22-27/h2,4-7,9-14,17-22,24H,3,8,15-16,23H2,1H3/p+1/b4-2-
InChIKeyRGLXGLONCFFIPP-RQOWECAXSA-O
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
2,2,2-trifluoro-N-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]acetamide
CID 15579705
N-[(2S)-1-diphenylphosphanyl-3-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 132819492
N-[(2S,3S)-1-[bromo(triphenyl)-lambda5-phosphanyl]-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
CID 164677143
[(2S,3S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentyl]-triphenylphosphanium bromide
CID 176425127
Triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310
(2R)-(2-trifluoroacetamidopropyl)triphenylphosphonium iodide
CID 86661754
3-[[2-(Dimethylamino)acetyl]amino]propyl-triphenylphosphanium;2,2,2-trifluoroacetate
CID 89462839
N-[[chloro(triphenyl)-lambda5-phosphanyl]methyl]-2,2,2-trifluoroacetamide
CID 140527057
2,2,2-trifluoro-N-[(2R)-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-yl]acetamide
CID 141617680
2,2,2-trifluoro-N-[1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-yl]acetamide
CID 141627144
2,2,2-trifluoro-N-[2-oxopropyl(triphenyl)-lambda5-phosphanyl]-N-propylacetamide
CID 153873531

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium?
The IUPAC name of triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium (CID 102518800) is triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium.
What is the SMILES notation for triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium?
The canonical SMILES for triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium is CC(CCC/C=C\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium?
The InChIKey is RGLXGLONCFFIPP-RQOWECAXSA-O. The full InChI is InChI=1S/C29H31F3NOP/c1-24(33-28(34)29(30,31)32)16-8-3-2-4-15-23-35(25-17-9-5-10-18-25,26-19-11-6-12-20-26)27-21-13-7-14-22-27/h2,4-7,9-14,17-22,24H,3,8,15-16,23H2,1H3/p+1/b4-2-.
What are the key properties of triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium?
triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium has a molecular weight of 498.55 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(Z)-8-[(2,2,2-trifluoroacetyl)amino]non-3-enyl]phosphanium is sourced from PubChem (CID 102518800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).