2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one

C11F24OSi — CID 174051782

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one (PubChem CID 174051782) has the molecular formula C11F24OSi and a molecular weight of 632.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one
• PubChem CID: 174051782
• Molecular Formula: C11F24OSi
• Molecular Weight: 632.16 g/mol
• Exact Mass: 631.93
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one
• SMILES: O=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](F)(F)F
• InChI: InChI=1S/C11F24OSi/c12-2(13,1(36)37(33,34)35)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32
• InChIKey: GWODQOPYKUHHPE-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.16
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one?

The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one (CID 174051782) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one is O=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[Si](F)(F)F.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one?

The InChIKey is GWODQOPYKUHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F24OSi/c12-2(13,1(36)37(33,34)35)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32.

What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one?

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one has a molecular weight of 632.16 g/mol, XLogP of 7.22, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-trifluorosilylundecan-1-one is sourced from PubChem (CID 174051782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).