(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one

C22H33F3O3Si — CID 10598746

About (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one

(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one (PubChem CID 10598746) has the molecular formula C22H33F3O3Si and a molecular weight of 430.58 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one.

Molecular Properties

• Compound Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one
• PubChem CID: 10598746
• Molecular Formula: C22H33F3O3Si
• Molecular Weight: 430.58 g/mol
• Exact Mass: 430.22
• IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one
• SMILES: CC[C@H](O[Si](C)(C)C)C1CCCCC1C(=O)[C@@](OC)(c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C22H33F3O3Si/c1-6-19(28-29(3,4)5)17-14-10-11-15-18(17)20(26)21(27-2,22(23,24)25)16-12-8-7-9-13-16/h7-9,12-13,17-19H,6,10-11,14-15H2,1-5H3/t17?,18?,19-,21-/m0/s1
• InChIKey: MXAZCLRLRRICJH-XSNSTOHYSA-N
• XLogP: 6.10
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.58
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one?

The IUPAC name of (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one (CID 10598746) is (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one.

What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one?

The canonical SMILES for (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one is CC[C@H](O[Si](C)(C)C)C1CCCCC1C(=O)[C@@](OC)(c1ccccc1)C(F)(F)F.

What is the InChIKey of (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one?

The InChIKey is MXAZCLRLRRICJH-XSNSTOHYSA-N. The full InChI is InChI=1S/C22H33F3O3Si/c1-6-19(28-29(3,4)5)17-14-10-11-15-18(17)20(26)21(27-2,22(23,24)25)16-12-8-7-9-13-16/h7-9,12-13,17-19H,6,10-11,14-15H2,1-5H3/t17?,18?,19-,21-/m0/s1.

What are the key properties of (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one?

(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one has a molecular weight of 430.58 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[2-[(1S)-1-trimethylsilyloxypropyl]cyclohexyl]propan-1-one is sourced from PubChem (CID 10598746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).