2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide

C17H20F3NOSi — CID 134923009

IUPAC2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide
SMILESC=CC(CN(C#C[Si](C)(C)C)C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H20F3NOSi/c1-5-14(15-9-7-6-8-10-15)13-21(11-12-23(2,3)4)16(22)17(18,19)20/h5-10,14H,1,13H2,2-4H3
InChIKeyCEIJRZJNWFMLJU-UHFFFAOYSA-N
MW339.43 g/mol
LogP4.19
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide

2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide (PubChem CID 134923009) has the molecular formula C17H20F3NOSi and a molecular weight of 339.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide
PubChem CID134923009
Molecular FormulaC17H20F3NOSi
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide
SMILESC=CC(CN(C#C[Si](C)(C)C)C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H20F3NOSi/c1-5-14(15-9-7-6-8-10-15)13-21(11-12-23(2,3)4)16(22)17(18,19)20/h5-10,14H,1,13H2,2-4H3
InChIKeyCEIJRZJNWFMLJU-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 54.19
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-Trifluoroacetyldeoxyephedrine
CID 4601088
1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 897795
N-(4-phenylbutyl)-N-(trifluoromethyl)acetamide
CID 176438386
1-[4-[2-(Trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 71654429
Ethanamine,2-phenyl, N-methyl-N-trifluoroacetyl-
CID 568991
1-Amino-2-phenylpropane, N-trifluoroacetyl-
CID 12507573
2,2,2-Trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone
CID 10824890
2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(Z)-4-trimethylsilylbut-2-enyl]acetamide
CID 11812482
2,2,2-trifluoro-1-[4-[(E)-2-trimethylsilylethenyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 15187747
2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide
CID 15187751
2,2,2-trifluoro-N-hexyl-N-[(E,3R)-1-phenylhex-4-en-3-yl]acetamide
CID 101524507
2,2,2-trifluoro-N-[(E,2R)-pent-3-en-2-yl]-N-(2-phenylethyl)acetamide
CID 101524513

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide (CID 134923009) is 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide is C=CC(CN(C#C[Si](C)(C)C)C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide?
The InChIKey is CEIJRZJNWFMLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NOSi/c1-5-14(15-9-7-6-8-10-15)13-21(11-12-23(2,3)4)16(22)17(18,19)20/h5-10,14H,1,13H2,2-4H3.
What are the key properties of 2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide?
2,2,2-trifluoro-N-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide has a molecular weight of 339.43 g/mol, XLogP of 4.19, 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-(2-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)acetamide is sourced from PubChem (CID 134923009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).