2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide

C24H38F3NO2Si — CID 134940928

About 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide

2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide (PubChem CID 134940928) has the molecular formula C24H38F3NO2Si and a molecular weight of 457.65 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide
• PubChem CID: 134940928
• Molecular Formula: C24H38F3NO2Si
• Molecular Weight: 457.65 g/mol
• Exact Mass: 457.26
• IUPAC Name: 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide
• SMILES: C=C[C@@H](CCc1ccccc1)N(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C(F)(F)F
• InChI: InChI=1S/C24H38F3NO2Si/c1-8-22(15-14-21-12-10-9-11-13-21)28(23(29)24(25,26)27)16-17-30-31(18(2)3,19(4)5)20(6)7/h8-13,18-20,22H,1,14-17H2,2-7H3/t22-/m0/s1
• InChIKey: TVYZINQBXKEYHR-QFIPXVFZSA-N
• XLogP: 6.76
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.65
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide (CID 134940928) is 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide is C=C[C@@H](CCc1ccccc1)N(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)C(F)(F)F.

What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?

The InChIKey is TVYZINQBXKEYHR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H38F3NO2Si/c1-8-22(15-14-21-12-10-9-11-13-21)28(23(29)24(25,26)27)16-17-30-31(18(2)3,19(4)5)20(6)7/h8-13,18-20,22H,1,14-17H2,2-7H3/t22-/m0/s1.

What are the key properties of 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?

2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide has a molecular weight of 457.65 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[(3R)-5-phenylpent-1-en-3-yl]-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide is sourced from PubChem (CID 134940928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).