1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

C76H62F18O4S — CID 53787001

About 1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (PubChem CID 53787001) has the molecular formula C76H62F18O4S and a molecular weight of 1413.30 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
• PubChem CID: 53787001
• Molecular Formula: C76H62F18O4S
• Molecular Weight: 1413.30 g/mol
• Exact Mass: 1412.41
• IUPAC Name: 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
• SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F.CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)OC4=CC=C(C=C4)C)(C(F)(F)F)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C.CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C29H22F6O2.C17H14F6.C16H12F6.C14H14O2S/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-18H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3
• InChIKey: DZFBKEKDKVRTPZ-UHFFFAOYSA-N
• XLogP: —
• TPSA: 61.00 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: 1610

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1413.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene (CID 53787001) is 1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene.

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

The canonical SMILES for 1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(F)(F)F)C(F)(F)F.CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)OC4=CC=C(C=C4)C)(C(F)(F)F)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C.CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C)C(F)(F)F)C(F)(F)F.

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

The InChIKey is DZFBKEKDKVRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2.C17H14F6.C16H12F6.C14H14O2S/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-9-3-5-11(13(7-9)15(17,18)19)12-6-4-10(2)8-14(12)16(20,21)22;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-18H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-10H,1-2H3.

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

1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene has a molecular weight of 1413.30 g/mol, XLogP of not available, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 53787001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).