trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane

C10H9Cl3F12OSi — CID 142755459

About trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane

trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane (PubChem CID 142755459) has the molecular formula C10H9Cl3F12OSi and a molecular weight of 507.60 g/mol. Its IUPAC name is trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane.

Molecular Properties

• Compound Name: trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane
• PubChem CID: 142755459
• Molecular Formula: C10H9Cl3F12OSi
• Molecular Weight: 507.60 g/mol
• Exact Mass: 505.93
• IUPAC Name: trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane
• SMILES: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCC[Si](Cl)(Cl)Cl
• InChI: InChI=1S/C10H9Cl3F12OSi/c11-27(12,13)3-1-2-26-4-6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(14)15/h5H,1-4H2
• InChIKey: AVSUJOHTGYRBKJ-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane?

The IUPAC name of trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane (CID 142755459) is trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane.

What is the SMILES notation for trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane?

The canonical SMILES for trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCC[Si](Cl)(Cl)Cl.

What is the InChIKey of trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane?

The InChIKey is AVSUJOHTGYRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3F12OSi/c11-27(12,13)3-1-2-26-4-6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(14)15/h5H,1-4H2.

What are the key properties of trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane?

trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane has a molecular weight of 507.60 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane is sourced from PubChem (CID 142755459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).