2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide

C16H18F3NO2 — CID 11695323

IUPAC2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide
SMILESCC(=O)CC/C=C/CC(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H18F3NO2/c1-12(21)8-4-2-7-11-14(13-9-5-3-6-10-13)20-15(22)16(17,18)19/h2-3,5-7,9-10,14H,4,8,11H2,1H3,(H,20,22)/b7-2+
InChIKeyASCIDOXSLLZHII-FARCUNLSSA-N
MW313.32 g/mol
LogP3.72
Rot. Bonds7

About 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide

2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide (PubChem CID 11695323) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide
PubChem CID11695323
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide
SMILESCC(=O)CC/C=C/CC(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H18F3NO2/c1-12(21)8-4-2-7-11-14(13-9-5-3-6-10-13)20-15(22)16(17,18)19/h2-3,5-7,9-10,14H,4,8,11H2,1H3,(H,20,22)/b7-2+
InChIKeyASCIDOXSLLZHII-FARCUNLSSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
N-[(1S)-2-(benzylamino)-1-phenylethyl]-2,2,2-trifluoroacetamide
CID 130678853
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
3-(4-bromophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 2766043
[(S)-phenyl-[(2,2,2-trifluoroacetyl)amino]methyl] acetate
CID 172811542
(3R)-3-(4-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 7084661
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide
CID 51063364
3-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3730733
(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
CID 169128641

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide (CID 11695323) is 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide is CC(=O)CC/C=C/CC(NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide?
The InChIKey is ASCIDOXSLLZHII-FARCUNLSSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-12(21)8-4-2-7-11-14(13-9-5-3-6-10-13)20-15(22)16(17,18)19/h2-3,5-7,9-10,14H,4,8,11H2,1H3,(H,20,22)/b7-2+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide?
2,2,2-trifluoro-N-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 3.72, 7 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-[(E)-7-oxo-1-phenyloct-3-enyl]acetamide is sourced from PubChem (CID 11695323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).