1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene

C51H28F12O4 — CID 58185850

About 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene

1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene (PubChem CID 58185850) has the molecular formula C51H28F12O4 and a molecular weight of 932.76 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene.

Molecular Properties

• Compound Name: 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene
• PubChem CID: 58185850
• Molecular Formula: C51H28F12O4
• Molecular Weight: 932.76 g/mol
• Exact Mass: 932.18
• IUPAC Name: 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene
• SMILES: Cc1c(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(C)c(F)c4F)cc3)cc2)cccc1Oc1ccc(-c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1
• InChI: InChI=1S/C51H28F12O4/c1-23-34(64-30-15-7-26(8-16-30)28-11-19-32(20-12-28)66-50-46(60)40(54)25(3)41(55)47(50)61)5-4-6-35(23)65-31-17-9-27(10-18-31)29-13-21-33(22-14-29)67-51-48(62)44(58)37(45(59)49(51)63)36-42(56)38(52)24(2)39(53)43(36)57/h4-22H,1-3H3
• InChIKey: DRMSGFIZEGSSMG-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.76
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene?

The IUPAC name of 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene (CID 58185850) is 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene.

What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene?

The canonical SMILES for 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene is Cc1c(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(C)c(F)c4F)cc3)cc2)cccc1Oc1ccc(-c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1.

What is the InChIKey of 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene?

The InChIKey is DRMSGFIZEGSSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28F12O4/c1-23-34(64-30-15-7-26(8-16-30)28-11-19-32(20-12-28)66-50-46(60)40(54)25(3)41(55)47(50)61)5-4-6-35(23)65-31-17-9-27(10-18-31)29-13-21-33(22-14-29)67-51-48(62)44(58)37(45(59)49(51)63)36-42(56)38(52)24(2)39(53)43(36)57/h4-22H,1-3H3.

What are the key properties of 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene?

1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene has a molecular weight of 932.76 g/mol, XLogP of 16.45, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene is sourced from PubChem (CID 58185850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).