5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane

C19H15AsF26 — CID 173291179

About 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane (PubChem CID 173291179) has the molecular formula C19H15AsF26 and a molecular weight of 812.20 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane.

Molecular Properties

• Compound Name: 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane
• PubChem CID: 173291179
• Molecular Formula: C19H15AsF26
• Molecular Weight: 812.20 g/mol
• Exact Mass: 812.00
• IUPAC Name: 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[AsH]CCCCC(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/C19H15AsF26/c21-8(22,4-1-2-6-20-7-3-5-9(23,24)11(27,28)16(37,38)18(41,42)43)10(25,26)12(29,30)13(31,32)14(33,34)15(35,36)17(39,40)19(44,45)46/h20H,1-7H2
• InChIKey: CNAJVDBXDXWWIK-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 0.00 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.20
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane?

The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane (CID 173291179) is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane.

What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane?

The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC[AsH]CCCCC(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 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane?

The InChIKey is CNAJVDBXDXWWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15AsF26/c21-8(22,4-1-2-6-20-7-3-5-9(23,24)11(27,28)16(37,38)18(41,42)43)10(25,26)12(29,30)13(31,32)14(33,34)15(35,36)17(39,40)19(44,45)46/h20H,1-7H2.

What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane?

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane has a molecular weight of 812.20 g/mol, XLogP of 10.69, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)arsane is sourced from PubChem (CID 173291179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).