2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide

C16H21F3INOSi — CID 15187751

IUPAC2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide
SMILESC[Si](C)(C)C/C=C/CN(Cc1ccccc1I)C(=O)C(F)(F)F
InChIInChI=1S/C16H21F3INOSi/c1-23(2,3)11-7-6-10-21(15(22)16(17,18)19)12-13-8-4-5-9-14(13)20/h4-9H,10-12H2,1-3H3/b7-6+
InChIKeyVPAXRGRDGIVIMU-VOTSOKGWSA-N
MW455.33 g/mol
LogP5.08
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide

2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide (PubChem CID 15187751) has the molecular formula C16H21F3INOSi and a molecular weight of 455.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide
PubChem CID15187751
Molecular FormulaC16H21F3INOSi
Molecular Weight455.33 g/mol
Exact Mass455.04
IUPAC Name2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide
SMILESC[Si](C)(C)C/C=C/CN(Cc1ccccc1I)C(=O)C(F)(F)F
InChIInChI=1S/C16H21F3INOSi/c1-23(2,3)11-7-6-10-21(15(22)16(17,18)19)12-13-8-4-5-9-14(13)20/h4-9H,10-12H2,1-3H3/b7-6+
InChIKeyVPAXRGRDGIVIMU-VOTSOKGWSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.33
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N,2,2-Trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
N-Methyl-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
CID 22660933
N-(4-fluorobenzyl)-N-methylacetamide
CID 21947447
N-[(4-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 25644335
Benzyl(2,2,2-trifluoro-1-methoxyethyl)((trimethylsilyl)methyl)amine
CID 71534067
N,N-dibenzyl-2,2-difluoroacetamide
CID 747536
N-benzyl-N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 15164350
N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide
CID 72704094
N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide
CID 72704095
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134792414
N,2,2-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134795087

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide (CID 15187751) is 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide is C[Si](C)(C)C/C=C/CN(Cc1ccccc1I)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide?
The InChIKey is VPAXRGRDGIVIMU-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H21F3INOSi/c1-23(2,3)11-7-6-10-21(15(22)16(17,18)19)12-13-8-4-5-9-14(13)20/h4-9H,10-12H2,1-3H3/b7-6+.
What are the key properties of 2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide?
2,2,2-trifluoro-N-[(2-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide has a molecular weight of 455.33 g/mol, XLogP of 5.08, 6 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-iodophenyl)methyl]-N-[(E)-4-trimethylsilylbut-2-enyl]acetamide is sourced from PubChem (CID 15187751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).