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

C21H18F3NOP+ — CID 3507856

IUPACtriphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium
SMILESO=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H17F3NOP/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/p+1
InChIKeyCRMBNXSUWGUDRD-UHFFFAOYSA-O
MW388.35 g/mol
LogP3.62
Rot. Bonds5

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

triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium (PubChem CID 3507856) has the molecular formula C21H18F3NOP+ and a molecular weight of 388.35 g/mol. Its IUPAC name is triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium
PubChem CID3507856
Molecular FormulaC21H18F3NOP+
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Nametriphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium
SMILESO=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H17F3NOP/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/p+1
InChIKeyCRMBNXSUWGUDRD-UHFFFAOYSA-O
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.62
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

2-(Triphenylphosphoranylidene)acetamide
CID 38099
((2-Chloro-acetylamino)-methyl)-triphenyl-phosphonium, chloride
CID 45048468
Triphenyl-((2,2,2-trifluoro-acetylamino)-methyl)-phosphonium, chloride
CID 24213148
Triphenyl-((2,2,2-trichloro-acetylamino)-methyl)-phosphonium, chloride
CID 45048470
(2-Amino-2-oxoethyl)-triphenylphosphanium
CID 212893
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
2,2,2-trifluoro-N-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]acetamide
CID 15579705
N-(diphenylphosphino)-N-methyltrifluoroacet-amide
CID 129766795
Acetamide, N,N-dimethyl-2-(triphenylphosphoranylidene)-
CID 11046257
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
C20H15F3Nop
CID 11079257

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium?
The IUPAC name of triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium (CID 3507856) is triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium?
The canonical SMILES for triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium is O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium?
The InChIKey is CRMBNXSUWGUDRD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H17F3NOP/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/p+1.
What are the key properties of triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium?
triphenyl-[[(2,2,2-trifluoroacetyl)amino]methyl]phosphanium has a molecular weight of 388.35 g/mol, XLogP of 3.62, 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-trifluoroacetyl)amino]methyl]phosphanium is sourced from PubChem (CID 3507856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).