2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene

C23H16F8O5 — CID 89145241

About 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene

2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene (PubChem CID 89145241) has the molecular formula C23H16F8O5 and a molecular weight of 524.36 g/mol. Its IUPAC name is 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene.

Molecular Properties

• Compound Name: 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene
• PubChem CID: 89145241
• Molecular Formula: C23H16F8O5
• Molecular Weight: 524.36 g/mol
• Exact Mass: 524.09
• IUPAC Name: 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene
• SMILES: COc1cc(OC)c(-c2cc(F)c(C(F)(F)Oc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)c(OC)c1
• InChI: InChI=1S/C23H16F8O5/c1-32-13-9-18(33-2)20(19(10-13)34-3)11-6-15(25)21(16(26)7-11)22(27,28)35-12-4-5-17(14(24)8-12)36-23(29,30)31/h4-10H,1-3H3
• InChIKey: DPCLQTRWKYKROE-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.36
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene?

The IUPAC name of 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene (CID 89145241) is 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene.

What is the SMILES notation for 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene?

The canonical SMILES for 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene is COc1cc(OC)c(-c2cc(F)c(C(F)(F)Oc3ccc(OC(F)(F)F)c(F)c3)c(F)c2)c(OC)c1.

What is the InChIKey of 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene?

The InChIKey is DPCLQTRWKYKROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F8O5/c1-32-13-9-18(33-2)20(19(10-13)34-3)11-6-15(25)21(16(26)7-11)22(27,28)35-12-4-5-17(14(24)8-12)36-23(29,30)31/h4-10H,1-3H3.

What are the key properties of 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene?

2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene has a molecular weight of 524.36 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene is sourced from PubChem (CID 89145241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).