2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide

C20H15F3NOP — CID 11079257

IUPAC2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide
SMILESO=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H15F3NOP/c21-20(22,23)19(25)24-26(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyAQLFENQSVHVFBM-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.25
Rot. Bonds3

About 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide

2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide (PubChem CID 11079257) has the molecular formula C20H15F3NOP and a molecular weight of 373.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide
PubChem CID11079257
Molecular FormulaC20H15F3NOP
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide
SMILESO=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H15F3NOP/c21-20(22,23)19(25)24-26(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyAQLFENQSVHVFBM-UHFFFAOYSA-N
XLogP4.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide (CID 11079257) is 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide is O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide?
The InChIKey is AQLFENQSVHVFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3NOP/c21-20(22,23)19(25)24-26(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide?
2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide has a molecular weight of 373.31 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(triphenyl-λ5-phosphanylidene)acetamide is sourced from PubChem (CID 11079257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).