1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene

C76H54F24O5 — CID 54396172

About 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene

1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene (PubChem CID 54396172) has the molecular formula C76H54F24O5 and a molecular weight of 1503.21 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
• PubChem CID: 54396172
• Molecular Formula: C76H54F24O5
• Molecular Weight: 1503.21 g/mol
• Exact Mass: 1502.36
• IUPAC Name: 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
• SMILES: Cc1cc(Oc2ccc(C(c3ccc(Oc4ccc(C)c(C(F)(F)F)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1.Cc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1cccc(Oc2ccc(C(c3ccc(Oc4cccc(C)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1
• InChI: InChI=1S/C31H20F12O2.C29H22F6O2.C16H12F6O/c1-17-13-21(28(32,33)34)15-25(14-17)45-23-11-6-20(7-12-23)27(30(38,39)40,31(41,42)43)19-4-9-22(10-5-19)44-24-8-3-18(2)26(16-24)29(35,36)37;1-19-5-3-7-25(17-19)36-23-13-9-21(10-14-23)27(28(30,31)32,29(33,34)35)22-11-15-24(16-12-22)37-26-8-4-6-20(2)18-26;1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22/h3-16H,1-2H3;3-18H,1-2H3;3-8H,1-2H3
• InChIKey: VKCMPNADSWCBJN-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1503.21
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?

The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene (CID 54396172) is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene.

What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?

The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene is Cc1cc(Oc2ccc(C(c3ccc(Oc4ccc(C)c(C(F)(F)F)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc(C(F)(F)F)c1.Cc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1cccc(Oc2ccc(C(c3ccc(Oc4cccc(C)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1.

What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?

The InChIKey is VKCMPNADSWCBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20F12O2.C29H22F6O2.C16H12F6O/c1-17-13-21(28(32,33)34)15-25(14-17)45-23-11-6-20(7-12-23)27(30(38,39)40,31(41,42)43)19-4-9-22(10-5-19)44-24-8-3-18(2)26(16-24)29(35,36)37;1-19-5-3-7-25(17-19)36-23-13-9-21(10-14-23)27(28(30,31)32,29(33,34)35)22-11-15-24(16-12-22)37-26-8-4-6-20(2)18-26;1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22/h3-16H,1-2H3;3-18H,1-2H3;3-8H,1-2H3.

What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?

1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene has a molecular weight of 1503.21 g/mol, XLogP of 26.77, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylphenoxy)phenyl]propan-2-yl]-4-(3-methylphenoxy)benzene;1-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methyl-5-(trifluoromethyl)benzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 54396172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).