1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine

C22H11F38NSi — CID 123387003

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine (PubChem CID 123387003) has the molecular formula C22H11F38NSi and a molecular weight of 1039.35 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine
• PubChem CID: 123387003
• Molecular Formula: C22H11F38NSi
• Molecular Weight: 1039.35 g/mol
• Exact Mass: 1039.01
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine
• SMILES: CCCC(N[SiH3])(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)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
• InChI: InChI=1S/C22H11F38NSi/c1-2-3-4(61-62,5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)57)6(25,26)8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(58,59)60/h61H,2-3H2,1,62H3
• InChIKey: NIAMKEMRNYQHEV-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 19
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.35
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine?

The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine (CID 123387003) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine.

What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine?

The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine is CCCC(N[SiH3])(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)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.

What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine?

The InChIKey is NIAMKEMRNYQHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F38NSi/c1-2-3-4(61-62,5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)57)6(25,26)8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(58,59)60/h61H,2-3H2,1,62H3.

What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine?

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine has a molecular weight of 1039.35 g/mol, XLogP of 11.68, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine is sourced from PubChem (CID 123387003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).