2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide

C24H28F3NO2 — CID 10669754

About 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide

2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide (PubChem CID 10669754) has the molecular formula C24H28F3NO2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide
• PubChem CID: 10669754
• Molecular Formula: C24H28F3NO2
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.21
• IUPAC Name: 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide
• SMILES: C=CC[C@@](C)(CCC)O[C@@H](c1ccccc1)[C@H](NC(=O)C(F)(F)F)c1ccccc1
• InChI: InChI=1S/C24H28F3NO2/c1-4-16-23(3,17-5-2)30-21(19-14-10-7-11-15-19)20(18-12-8-6-9-13-18)28-22(29)24(25,26)27/h4,6-15,20-21H,1,5,16-17H2,2-3H3,(H,28,29)/t20-,21+,23+/m1/s1
• InChIKey: JGNCKMCAXFSDQW-GIWBLDEGSA-N
• XLogP: 6.30
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide (CID 10669754) is 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide is C=CC[C@@](C)(CCC)O[C@@H](c1ccccc1)[C@H](NC(=O)C(F)(F)F)c1ccccc1.

What is the InChIKey of 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide?

The InChIKey is JGNCKMCAXFSDQW-GIWBLDEGSA-N. The full InChI is InChI=1S/C24H28F3NO2/c1-4-16-23(3,17-5-2)30-21(19-14-10-7-11-15-19)20(18-12-8-6-9-13-18)28-22(29)24(25,26)27/h4,6-15,20-21H,1,5,16-17H2,2-3H3,(H,28,29)/t20-,21+,23+/m1/s1.

What are the key properties of 2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide?

2,2,2-trifluoro-N-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 6.30, 10 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-[(1R,2S)-2-[(4R)-4-methylhept-1-en-4-yl]oxy-1,2-diphenylethyl]acetamide is sourced from PubChem (CID 10669754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).