cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane

C30H38F8OSi2 — CID 173235630

About cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane

cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane (PubChem CID 173235630) has the molecular formula C30H38F8OSi2 and a molecular weight of 622.79 g/mol. Its IUPAC name is cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane.

Molecular Properties

• Compound Name: cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane
• PubChem CID: 173235630
• Molecular Formula: C30H38F8OSi2
• Molecular Weight: 622.79 g/mol
• Exact Mass: 622.23
• IUPAC Name: cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane
• SMILES: CC[Si](CC)(CC)CC[Si](Oc1c(F)c(F)c2c(c1F)-c1c(F)c(F)cc(F)c1C2(F)F)(C(C)C)C1CCCCC1
• InChI: InChI=1S/C30H38F8OSi2/c1-6-40(7-2,8-3)14-15-41(17(4)5,18-12-10-9-11-13-18)39-29-26(34)22-21-23(19(31)16-20(32)25(21)33)30(37,38)24(22)27(35)28(29)36/h16-18H,6-15H2,1-5H3
• InChIKey: BIFNWUGBFQYPIX-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.79
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?

The IUPAC name of cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane (CID 173235630) is cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane.

What is the SMILES notation for cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?

The canonical SMILES for cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane is CC[Si](CC)(CC)CC[Si](Oc1c(F)c(F)c2c(c1F)-c1c(F)c(F)cc(F)c1C2(F)F)(C(C)C)C1CCCCC1.

What is the InChIKey of cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?

The InChIKey is BIFNWUGBFQYPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F8OSi2/c1-6-40(7-2,8-3)14-15-41(17(4)5,18-12-10-9-11-13-18)39-29-26(34)22-21-23(19(31)16-20(32)25(21)33)30(37,38)24(22)27(35)28(29)36/h16-18H,6-15H2,1-5H3.

What are the key properties of cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane?

cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane has a molecular weight of 622.79 g/mol, XLogP of 11.22, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-(1,2,4,5,6,8,9,9-octafluorofluoren-3-yl)oxy-propan-2-yl-(2-triethylsilylethyl)silane is sourced from PubChem (CID 173235630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).