N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide

C21H18ClF3NOP — CID 140527057

IUPACN-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18ClF3NOP/c22-28(17-10-4-1-5-11-17,18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-26-20(27)21(23,24)25/h1-15H,16H2,(H,26,27)
InChIKeyWGUFBUBPTPNTRV-UHFFFAOYSA-N
MW423.80 g/mol
LogP4.31
Rot. Bonds5

About N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide

N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 140527057) has the molecular formula C21H18ClF3NOP and a molecular weight of 423.80 g/mol. Its IUPAC name is N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID140527057
Molecular FormulaC21H18ClF3NOP
Molecular Weight423.80 g/mol
Exact Mass423.08
IUPAC NameN-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H18ClF3NOP/c22-28(17-10-4-1-5-11-17,18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-26-20(27)21(23,24)25/h1-15H,16H2,(H,26,27)
InChIKeyWGUFBUBPTPNTRV-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Triphenylphosphaniumyl)ethanimidate--hydrogen chloride (1/1)
CID 212892
((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
((2,2-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
2-[Chloro(triphenyl)-lambda5-phosphanyl]acetamide
CID 12388997
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 N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide (CID 140527057) is N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide is O=C(NCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is WGUFBUBPTPNTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3NOP/c22-28(17-10-4-1-5-11-17,18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-26-20(27)21(23,24)25/h1-15H,16H2,(H,26,27).
What are the key properties of N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide?
N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 423.80 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[chloro(triphenyl)-λ5-phosphanyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 140527057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).