(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene

C22H10F20O2 — CID 139606431

About (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene

(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene (PubChem CID 139606431) has the molecular formula C22H10F20O2 and a molecular weight of 686.28 g/mol. Its IUPAC name is (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene.

Molecular Properties

• Compound Name: (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
• PubChem CID: 139606431
• Molecular Formula: C22H10F20O2
• Molecular Weight: 686.28 g/mol
• Exact Mass: 686.04
• IUPAC Name: (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
• SMILES: FC(F)(Oc1ccccc1)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)Oc1ccccc1
• InChI: InChI=1S/C22H10F20O2/c23-13(24,15(27,28)17(31,32)19(35,36)21(39,40)43-11-7-3-1-4-8-11)14(25,26)16(29,30)18(33,34)20(37,38)22(41,42)44-12-9-5-2-6-10-12/h1-10H
• InChIKey: GXNXCSBVUWZQJR-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.28
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene?

The IUPAC name of (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene (CID 139606431) is (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene.

What is the SMILES notation for (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene?

The canonical SMILES for (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene is FC(F)(Oc1ccccc1)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)Oc1ccccc1.

What is the InChIKey of (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene?

The InChIKey is GXNXCSBVUWZQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F20O2/c23-13(24,15(27,28)17(31,32)19(35,36)21(39,40)43-11-7-3-1-4-8-11)14(25,26)16(29,30)18(33,34)20(37,38)22(41,42)44-12-9-5-2-6-10-12/h1-10H.

What are the key properties of (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene?

(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene has a molecular weight of 686.28 g/mol, XLogP of 9.41, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene is sourced from PubChem (CID 139606431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).