dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane

C21H33F7O2Si — CID 91505287

About dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane

dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 91505287) has the molecular formula C21H33F7O2Si and a molecular weight of 478.57 g/mol. Its IUPAC name is dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

• Compound Name: dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
• PubChem CID: 91505287
• Molecular Formula: C21H33F7O2Si
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.21
• IUPAC Name: dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
• SMILES: CC(CC1(F)CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)OC
• InChI: InChI=1S/C17H21F7.C4H12O2Si/c1-14(16(19,20)21,17(22,23)24)7-15(18)6-10-5-11(15)13-9-3-2-8(4-9)12(10)13;1-5-7(3,4)6-2/h8-13H,2-7H2,1H3;1-4H3
• InChIKey: DAJUXUNSGIIKPV-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

The IUPAC name of dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane (CID 91505287) is dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane.

What is the SMILES notation for dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

The canonical SMILES for dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane is CC(CC1(F)CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)OC.

What is the InChIKey of dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

The InChIKey is DAJUXUNSGIIKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F7.C4H12O2Si/c1-14(16(19,20)21,17(22,23)24)7-15(18)6-10-5-11(15)13-9-3-2-8(4-9)12(10)13;1-5-7(3,4)6-2/h8-13H,2-7H2,1H3;1-4H3.

What are the key properties of dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 478.57 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethoxy(dimethyl)silane;4-fluoro-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 91505287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).