2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene

C40H26F8O4S — CID 143238943

About 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene

2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene (PubChem CID 143238943) has the molecular formula C40H26F8O4S and a molecular weight of 754.70 g/mol. Its IUPAC name is 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene.

Molecular Properties

• Compound Name: 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
• PubChem CID: 143238943
• Molecular Formula: C40H26F8O4S
• Molecular Weight: 754.70 g/mol
• Exact Mass: 754.14
• IUPAC Name: 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
• SMILES: Cc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(S(=O)(=O)c4ccc(OC(F)(F)c5c(F)cc(-c6ccc(C)cc6)cc5F)cc4)cc3)c(F)c2)cc1
• InChI: InChI=1S/C40H26F8O4S/c1-23-3-7-25(8-4-23)27-19-33(41)37(34(42)20-27)39(45,46)51-29-11-15-31(16-12-29)53(49,50)32-17-13-30(14-18-32)52-40(47,48)38-35(43)21-28(22-36(38)44)26-9-5-24(2)6-10-26/h3-22H,1-2H3
• InChIKey: YSNJXVYMZLRORT-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.70
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?

The IUPAC name of 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene (CID 143238943) is 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene.

What is the SMILES notation for 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?

The canonical SMILES for 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene is Cc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(S(=O)(=O)c4ccc(OC(F)(F)c5c(F)cc(-c6ccc(C)cc6)cc5F)cc4)cc3)c(F)c2)cc1.

What is the InChIKey of 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?

The InChIKey is YSNJXVYMZLRORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F8O4S/c1-23-3-7-25(8-4-23)27-19-33(41)37(34(42)20-27)39(45,46)51-29-11-15-31(16-12-29)53(49,50)32-17-13-30(14-18-32)52-40(47,48)38-35(43)21-28(22-36(38)44)26-9-5-24(2)6-10-26/h3-22H,1-2H3.

What are the key properties of 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene?

2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene has a molecular weight of 754.70 g/mol, XLogP of 11.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene is sourced from PubChem (CID 143238943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).