4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane

C22H31F11O2Si — CID 91307459

About 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane

4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane (PubChem CID 91307459) has the molecular formula C22H31F11O2Si and a molecular weight of 564.55 g/mol. Its IUPAC name is 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane.

Molecular Properties

• Compound Name: 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane
• PubChem CID: 91307459
• Molecular Formula: C22H31F11O2Si
• Molecular Weight: 564.55 g/mol
• Exact Mass: 564.19
• IUPAC Name: 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane
• SMILES: CC(CC1(C(F)(F)F)C2CC(C3C4CCC(C4)C32)C1(F)F)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)OC
• InChI: InChI=1S/C18H19F11.C4H12O2Si/c1-13(16(21,22)23,17(24,25)26)6-14(18(27,28)29)9-5-10(15(14,19)20)12-8-3-2-7(4-8)11(9)12;1-5-7(3,4)6-2/h7-12H,2-6H2,1H3;1-4H3
• InChIKey: UDBSVERCRCPPIT-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.55
LogP ≤ 5	7.98
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 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane?

The IUPAC name of 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane (CID 91307459) is 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane.

What is the SMILES notation for 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane?

The canonical SMILES for 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane is CC(CC1(C(F)(F)F)C2CC(C3C4CCC(C4)C32)C1(F)F)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)OC.

What is the InChIKey of 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane?

The InChIKey is UDBSVERCRCPPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F11.C4H12O2Si/c1-13(16(21,22)23,17(24,25)26)6-14(18(27,28)29)9-5-10(15(14,19)20)12-8-3-2-7(4-8)11(9)12;1-5-7(3,4)6-2/h7-12H,2-6H2,1H3;1-4H3.

What are the key properties of 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane?

4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane has a molecular weight of 564.55 g/mol, XLogP of 7.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluoro-5-(trifluoromethyl)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;dimethoxy(dimethyl)silane is sourced from PubChem (CID 91307459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).