[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene

C126H94F20O18S3 — CID 91589465

About [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene

[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene (PubChem CID 91589465) has the molecular formula C126H94F20O18S3 and a molecular weight of 2372.28 g/mol. Its IUPAC name is [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene.

Molecular Properties

• Compound Name: [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene
• PubChem CID: 91589465
• Molecular Formula: C126H94F20O18S3
• Molecular Weight: 2372.28 g/mol
• Exact Mass: 2370.53
• IUPAC Name: [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene
• SMILES: COc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(F)c2F)c(F)c1F.COc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1
• InChI: InChI=1S/C30H22F6O3.C29H22F6O4S.C26H14F8O4S.C21H18O3.C20H18O4S/c1-19-3-5-20(6-4-19)27(37)21-7-13-25(14-8-21)39-26-17-11-23(12-18-26)28(29(31,32)33,30(34,35)36)22-9-15-24(38-2)16-10-22;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20;1-11-3-7-13(8-4-11)39(35,36)14-9-5-12(6-10-14)38-26-23(33)19(29)16(20(30)24(26)34)15-17(27)21(31)25(37-2)22(32)18(15)28;1-15-3-5-16(6-4-15)21(22)17-7-9-19(10-8-17)24-20-13-11-18(23-2)12-14-20;1-15-3-11-19(12-4-15)25(21,22)20-13-9-18(10-14-20)24-17-7-5-16(23-2)6-8-17/h3-18H,1-2H3;3-18H,1-2H3;3-10H,1-2H3;3-14H,1-2H3;3-14H,1-2H3
• InChIKey: WCQRPHJMSKIXQV-UHFFFAOYSA-N
• XLogP: 33.54
• TPSA: 228.86 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2372.28
LogP ≤ 5	33.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene?

The IUPAC name of [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene (CID 91589465) is [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene.

What is the SMILES notation for [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene?

The canonical SMILES for [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene is COc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(F)c2F)c(F)c1F.COc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1.

What is the InChIKey of [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene?

The InChIKey is WCQRPHJMSKIXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F6O3.C29H22F6O4S.C26H14F8O4S.C21H18O3.C20H18O4S/c1-19-3-5-20(6-4-19)27(37)21-7-13-25(14-8-21)39-26-17-11-23(12-18-26)28(29(31,32)33,30(34,35)36)22-9-15-24(38-2)16-10-22;1-19-3-15-25(16-4-19)40(36,37)26-17-13-24(14-18-26)39-23-11-7-21(8-12-23)27(28(30,31)32,29(33,34)35)20-5-9-22(38-2)10-6-20;1-11-3-7-13(8-4-11)39(35,36)14-9-5-12(6-10-14)38-26-23(33)19(29)16(20(30)24(26)34)15-17(27)21(31)25(37-2)22(32)18(15)28;1-15-3-5-16(6-4-15)21(22)17-7-9-19(10-8-17)24-20-13-11-18(23-2)12-14-20;1-15-3-11-19(12-4-15)25(21,22)20-13-9-18(10-14-20)24-17-7-5-16(23-2)6-8-17/h3-18H,1-2H3;3-18H,1-2H3;3-10H,1-2H3;3-14H,1-2H3;3-14H,1-2H3.

What are the key properties of [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene?

[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene has a molecular weight of 2372.28 g/mol, XLogP of 33.54, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene is sourced from PubChem (CID 91589465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).