1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene

C26H12F10O3 — CID 141088240

About 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene

1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene (PubChem CID 141088240) has the molecular formula C26H12F10O3 and a molecular weight of 562.36 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene.

Molecular Properties

• Compound Name: 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene
• PubChem CID: 141088240
• Molecular Formula: C26H12F10O3
• Molecular Weight: 562.36 g/mol
• Exact Mass: 562.06
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene
• SMILES: Fc1c(F)c(F)c(COc2ccc(Oc3ccc(OCc4c(F)c(F)c(F)c(F)c4F)cc3)cc2)c(F)c1F
• InChI: InChI=1S/C26H12F10O3/c27-17-15(18(28)22(32)25(35)21(17)31)9-37-11-1-5-13(6-2-11)39-14-7-3-12(4-8-14)38-10-16-19(29)23(33)26(36)24(34)20(16)30/h1-8H,9-10H2
• InChIKey: PNIDUKNWLGFZPU-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.36
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene?

The IUPAC name of 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene (CID 141088240) is 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene.

What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene?

The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene is Fc1c(F)c(F)c(COc2ccc(Oc3ccc(OCc4c(F)c(F)c(F)c(F)c4F)cc3)cc2)c(F)c1F.

What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene?

The InChIKey is PNIDUKNWLGFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F10O3/c27-17-15(18(28)22(32)25(35)21(17)31)9-37-11-1-5-13(6-2-11)39-14-7-3-12(4-8-14)38-10-16-19(29)23(33)26(36)24(34)20(16)30/h1-8H,9-10H2.

What are the key properties of 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene?

1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene has a molecular weight of 562.36 g/mol, XLogP of 8.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene is sourced from PubChem (CID 141088240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).