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

C23H22F3NOP+ — CID 74081311

IUPACtriphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C23H21F3NOP/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/p+1
InChIKeyQGENBPOBKYRTQC-UHFFFAOYSA-O
MW416.40 g/mol
LogP4.05
Rot. Bonds6

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

triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium (PubChem CID 74081311) has the molecular formula C23H22F3NOP+ and a molecular weight of 416.40 g/mol. Its IUPAC name is triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium
PubChem CID74081311
Molecular FormulaC23H22F3NOP+
Molecular Weight416.40 g/mol
Exact Mass416.14
IUPAC Nametriphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C23H21F3NOP/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/p+1
InChIKeyQGENBPOBKYRTQC-UHFFFAOYSA-O
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
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
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
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
3-[[2-(Dimethylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium;2,2,2-trifluoroacetate
CID 89462842

Frequently Asked Questions

What is the IUPAC name of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium?
The IUPAC name of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium (CID 74081311) is triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium.
What is the SMILES notation for triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium?
The canonical SMILES for triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium is CC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium?
The InChIKey is QGENBPOBKYRTQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H21F3NOP/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/p+1.
What are the key properties of triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium?
triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium has a molecular weight of 416.40 g/mol, XLogP of 4.05, 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 is sourced from PubChem (CID 74081311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).