1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene

C60H28F22O4 — CID 126730752

About 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene

1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene (PubChem CID 126730752) has the molecular formula C60H28F22O4 and a molecular weight of 1230.84 g/mol. Its IUPAC name is 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene.

Molecular Properties

• Compound Name: 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene
• PubChem CID: 126730752
• Molecular Formula: C60H28F22O4
• Molecular Weight: 1230.84 g/mol
• Exact Mass: 1230.16
• IUPAC Name: 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene
• SMILES: Cc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C(c5ccc(Oc6c(F)c(F)c(-c7c(F)c(F)c(Oc8ccc(-c9ccc(C)cc9C)cc8)c(F)c7F)c(F)c6F)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(F)c3F)c(F)c2F)cc1
• InChI: InChI=1S/C60H28F22O4/c1-23-4-13-29(14-5-23)83-54-46(69)38(61)34(39(62)47(54)70)36-42(65)50(73)56(51(74)43(36)66)85-31-17-9-27(10-18-31)58(59(77,78)79,60(80,81)82)28-11-19-32(20-12-28)86-57-52(75)44(67)37(45(68)53(57)76)35-40(63)48(71)55(49(72)41(35)64)84-30-15-7-26(8-16-30)33-21-6-24(2)22-25(33)3/h4-22H,1-3H3
• InChIKey: DMPCJMCJWFPWHU-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.84
LogP ≤ 5	20.42
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-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene?

The IUPAC name of 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene (CID 126730752) is 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene.

What is the SMILES notation for 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene?

The canonical SMILES for 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene is Cc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C(c5ccc(Oc6c(F)c(F)c(-c7c(F)c(F)c(Oc8ccc(-c9ccc(C)cc9C)cc8)c(F)c7F)c(F)c6F)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(F)c3F)c(F)c2F)cc1.

What is the InChIKey of 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene?

The InChIKey is DMPCJMCJWFPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H28F22O4/c1-23-4-13-29(14-5-23)83-54-46(69)38(61)34(39(62)47(54)70)36-42(65)50(73)56(51(74)43(36)66)85-31-17-9-27(10-18-31)58(59(77,78)79,60(80,81)82)28-11-19-32(20-12-28)86-57-52(75)44(67)37(45(68)53(57)76)35-40(63)48(71)55(49(72)41(35)64)84-30-15-7-26(8-16-30)33-21-6-24(2)22-25(33)3/h4-22H,1-3H3.

What are the key properties of 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene?

1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene has a molecular weight of 1230.84 g/mol, XLogP of 20.42, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(2,4-dimethylphenyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(4-methylphenoxy)phenyl]phenoxy]phenyl]propan-2-yl]phenoxy]benzene is sourced from PubChem (CID 126730752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).