2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide

C22H38F3NO2Si — CID 15037080

IUPAC2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide
SMILESCCCCCCCCCCCCC(NC(=O)C(F)(F)F)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C22H38F3NO2Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(26-21(27)22(23,24)25)18-16-20(28-17-18)29(2,3)4/h16-17,19H,5-15H2,1-4H3,(H,26,27)
InChIKeyIUUCFGDFRLGWCF-UHFFFAOYSA-N
MW433.63 g/mol
LogP6.86
Rot. Bonds14

About 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide

2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide (PubChem CID 15037080) has the molecular formula C22H38F3NO2Si and a molecular weight of 433.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide
PubChem CID15037080
Molecular FormulaC22H38F3NO2Si
Molecular Weight433.63 g/mol
Exact Mass433.26
IUPAC Name2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide
SMILESCCCCCCCCCCCCC(NC(=O)C(F)(F)F)c1coc([Si](C)(C)C)c1
InChIInChI=1S/C22H38F3NO2Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(26-21(27)22(23,24)25)18-16-20(28-17-18)29(2,3)4/h16-17,19H,5-15H2,1-4H3,(H,26,27)
InChIKeyIUUCFGDFRLGWCF-UHFFFAOYSA-N
XLogP6.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide (CID 15037080) is 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide is CCCCCCCCCCCCC(NC(=O)C(F)(F)F)c1coc([Si](C)(C)C)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide?
The InChIKey is IUUCFGDFRLGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F3NO2Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(26-21(27)22(23,24)25)18-16-20(28-17-18)29(2,3)4/h16-17,19H,5-15H2,1-4H3,(H,26,27).
What are the key properties of 2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide?
2,2,2-trifluoro-N-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide has a molecular weight of 433.63 g/mol, XLogP of 6.86, 14 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-[1-(5-trimethylsilylfuran-3-yl)tridecyl]acetamide is sourced from PubChem (CID 15037080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).