2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide

C21H18F3NOSi — CID 139900682

IUPAC2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide
SMILESCN(C(=O)C(F)(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18F3NOSi/c1-25(20(26)21(22,23)24)27(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyWPTWTIQQIMTNCM-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.67
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide

2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide (PubChem CID 139900682) has the molecular formula C21H18F3NOSi and a molecular weight of 385.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide
PubChem CID139900682
Molecular FormulaC21H18F3NOSi
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC Name2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide
SMILESCN(C(=O)C(F)(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18F3NOSi/c1-25(20(26)21(22,23)24)27(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyWPTWTIQQIMTNCM-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide 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-methyl-N-triphenylsilylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide (CID 139900682) is 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide is CN(C(=O)C(F)(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide?
The InChIKey is WPTWTIQQIMTNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NOSi/c1-25(20(26)21(22,23)24)27(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide?
2,2,2-trifluoro-N-methyl-N-triphenylsilylacetamide has a molecular weight of 385.46 g/mol, XLogP of 2.67, 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-methyl-N-triphenylsilylacetamide is sourced from PubChem (CID 139900682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).