2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide

C22H20F3N2OP — CID 15579705

IUPAC2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide
SMILESO=C(NCCN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H20F3N2OP/c23-22(24,25)21(28)26-16-17-27-29(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,26,28)
InChIKeyINQQVVXSLSLHEX-UHFFFAOYSA-N
MW416.38 g/mol
LogP3.84
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide

2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide (PubChem CID 15579705) has the molecular formula C22H20F3N2OP and a molecular weight of 416.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide
PubChem CID15579705
Molecular FormulaC22H20F3N2OP
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC Name2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide
SMILESO=C(NCCN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H20F3N2OP/c23-22(24,25)21(28)26-16-17-27-29(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,26,28)
InChIKeyINQQVVXSLSLHEX-UHFFFAOYSA-N
XLogP3.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide (CID 15579705) is 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide is O=C(NCCN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide?
The InChIKey is INQQVVXSLSLHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N2OP/c23-22(24,25)21(28)26-16-17-27-29(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,26,28).
What are the key properties of 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide has a molecular weight of 416.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(triphenyl-λ5-phosphanylidene)amino]ethyl]acetamide is sourced from PubChem (CID 15579705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).