2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide

C13H18F3NOSi — CID 11737817

IUPAC2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide
SMILESC=C/C=C/CCN(C#C[Si](C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C13H18F3NOSi/c1-5-6-7-8-9-17(10-11-19(2,3)4)12(18)13(14,15)16/h5-7H,1,8-9H2,2-4H3/b7-6+
InChIKeyBVAFOWGBGABZOT-VOTSOKGWSA-N
MW289.37 g/mol
LogP3.35
Rot. Bonds4

About 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide

2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide (PubChem CID 11737817) has the molecular formula C13H18F3NOSi and a molecular weight of 289.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide
PubChem CID11737817
Molecular FormulaC13H18F3NOSi
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide
SMILESC=C/C=C/CCN(C#C[Si](C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C13H18F3NOSi/c1-5-6-7-8-9-17(10-11-19(2,3)4)12(18)13(14,15)16/h5-7H,1,8-9H2,2-4H3/b7-6+
InChIKeyBVAFOWGBGABZOT-VOTSOKGWSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide (CID 11737817) is 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide is C=C/C=C/CCN(C#C[Si](C)(C)C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide?
The InChIKey is BVAFOWGBGABZOT-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H18F3NOSi/c1-5-6-7-8-9-17(10-11-19(2,3)4)12(18)13(14,15)16/h5-7H,1,8-9H2,2-4H3/b7-6+.
What are the key properties of 2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide?
2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide has a molecular weight of 289.37 g/mol, XLogP of 3.35, 4 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-[(3E)-hexa-3,5-dienyl]-N-(2-trimethylsilylethynyl)acetamide is sourced from PubChem (CID 11737817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).