N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide

C16H22F3NOSi — CID 101032745

IUPACN-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(/C=C/CCCNC(=O)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C16H22F3NOSi/c1-22(2,13-14-9-5-3-6-10-14)12-8-4-7-11-20-15(21)16(17,18)19/h3,5-6,8-10,12H,4,7,11,13H2,1-2H3,(H,20,21)/b12-8+
InChIKeyQHXQDNLIYUEVTA-XYOKQWHBSA-N
MW329.44 g/mol
LogP4.03
Rot. Bonds7

About N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide

N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide (PubChem CID 101032745) has the molecular formula C16H22F3NOSi and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide
PubChem CID101032745
Molecular FormulaC16H22F3NOSi
Molecular Weight329.44 g/mol
Exact Mass329.14
IUPAC NameN-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide
SMILESC[Si](C)(/C=C/CCCNC(=O)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C16H22F3NOSi/c1-22(2,13-14-9-5-3-6-10-14)12-8-4-7-11-20-15(21)16(17,18)19/h3,5-6,8-10,12H,4,7,11,13H2,1-2H3,(H,20,21)/b12-8+
InChIKeyQHXQDNLIYUEVTA-XYOKQWHBSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide (CID 101032745) is N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide is C[Si](C)(/C=C/CCCNC(=O)C(F)(F)F)Cc1ccccc1.
What is the InChIKey of N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide?
The InChIKey is QHXQDNLIYUEVTA-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H22F3NOSi/c1-22(2,13-14-9-5-3-6-10-14)12-8-4-7-11-20-15(21)16(17,18)19/h3,5-6,8-10,12H,4,7,11,13H2,1-2H3,(H,20,21)/b12-8+.
What are the key properties of N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide?
N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide has a molecular weight of 329.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-[benzyl(dimethyl)silyl]pent-4-enyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 101032745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).