1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene

C16F24O — CID 87663309

About 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene

1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 87663309) has the molecular formula C16F24O and a molecular weight of 664.13 g/mol. Its IUPAC name is 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

• Compound Name: 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene
• PubChem CID: 87663309
• Molecular Formula: C16F24O
• Molecular Weight: 664.13 g/mol
• Exact Mass: 663.96
• IUPAC Name: 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene
• SMILES: FC(F)=C(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C16F24O/c17-2-1(3(18)5(20)6(21)4(2)19)7(8(22)23)41-16(39,40)14(34,35)12(30,31)10(26,27)9(24,25)11(28,29)13(32,33)15(36,37)38
• InChIKey: PVVRNARYAATXTB-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.13
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene?

The IUPAC name of 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene (CID 87663309) is 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene.

What is the SMILES notation for 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene?

The canonical SMILES for 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene is FC(F)=C(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene?

The InChIKey is PVVRNARYAATXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F24O/c17-2-1(3(18)5(20)6(21)4(2)19)7(8(22)23)41-16(39,40)14(34,35)12(30,31)10(26,27)9(24,25)11(28,29)13(32,33)15(36,37)38.

What are the key properties of 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene?

1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 664.13 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,2-difluoro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)ethenyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 87663309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).