(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone

C70H46Cl2F12O8S — CID 91292573

About (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone

(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone (PubChem CID 91292573) has the molecular formula C70H46Cl2F12O8S and a molecular weight of 1346.08 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone
• PubChem CID: 91292573
• Molecular Formula: C70H46Cl2F12O8S
• Molecular Weight: 1346.08 g/mol
• Exact Mass: 1344.21
• IUPAC Name: (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone
• SMILES: COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
• InChI: InChI=1S/C41H27ClF6O6S.C29H19ClF6O2/c1-52-31-18-22-36(23-19-31)55(50,51)37-24-20-35(21-25-37)54-34-16-8-29(9-17-34)39(40(43,44)45,41(46,47)48)28-6-14-33(15-7-28)53-32-12-4-27(5-13-32)38(49)26-2-10-30(42)11-3-26;1-18-2-8-21(9-3-18)27(28(31,32)33,29(34,35)36)22-10-16-25(17-11-22)38-24-14-6-20(7-15-24)26(37)19-4-12-23(30)13-5-19/h2-25H,1H3;2-17H,1H3
• InChIKey: YAIDQYROTZFGGO-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 105.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1346.08
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone?

The IUPAC name of (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone (CID 91292573) is (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone.

What is the SMILES notation for (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone?

The canonical SMILES for (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone is COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(C(=O)c6ccc(Cl)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(C(c2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.

What is the InChIKey of (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone?

The InChIKey is YAIDQYROTZFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27ClF6O6S.C29H19ClF6O2/c1-52-31-18-22-36(23-19-31)55(50,51)37-24-20-35(21-25-37)54-34-16-8-29(9-17-34)39(40(43,44)45,41(46,47)48)28-6-14-33(15-7-28)53-32-12-4-27(5-13-32)38(49)26-2-10-30(42)11-3-26;1-18-2-8-21(9-3-18)27(28(31,32)33,29(34,35)36)22-10-16-25(17-11-22)38-24-14-6-20(7-15-24)26(37)19-4-12-23(30)13-5-19/h2-25H,1H3;2-17H,1H3.

What are the key properties of (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone?

(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone has a molecular weight of 1346.08 g/mol, XLogP of 20.49, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone;(4-chlorophenyl)-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]methanone is sourced from PubChem (CID 91292573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).