1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane

C18H6F32O — CID 87315103

About 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane

1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane (PubChem CID 87315103) has the molecular formula C18H6F32O and a molecular weight of 846.18 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane.

Molecular Properties

• Compound Name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane
• PubChem CID: 87315103
• Molecular Formula: C18H6F32O
• Molecular Weight: 846.18 g/mol
• Exact Mass: 845.99
• IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane
• SMILES: FC(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F
• InChI: InChI=1S/C18H6F32O/c19-1(3(21)22)7(27,28)11(35,36)15(43,44)17(47,48)13(39,40)9(31,32)5(25)51-6(26)10(33,34)14(41,42)18(49,50)16(45,46)12(37,38)8(29,30)2(20)4(23)24/h1-6H
• InChIKey: YEYAJNVOIKHPBQ-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.18
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane?

The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane (CID 87315103) is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane.

What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane?

The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane is FC(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F.

What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane?

The InChIKey is YEYAJNVOIKHPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F32O/c19-1(3(21)22)7(27,28)11(35,36)15(43,44)17(47,48)13(39,40)9(31,32)5(25)51-6(26)10(33,34)14(41,42)18(49,50)16(45,46)12(37,38)8(29,30)2(20)4(23)24/h1-6H.

What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane?

1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane has a molecular weight of 846.18 g/mol, XLogP of 10.42, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluoro-1-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9-hexadecafluorononoxy)nonane is sourced from PubChem (CID 87315103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).