5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane

C29H30F4O — CID 67733920

About 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane

5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane (PubChem CID 67733920) has the molecular formula C29H30F4O and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane.

Molecular Properties

• Compound Name: 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
• PubChem CID: 67733920
• Molecular Formula: C29H30F4O
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.22
• IUPAC Name: 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
• SMILES: CCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)cc2)c(F)c1F
• InChI: InChI=1S/C29H30F4O/c1-3-5-20-12-14-23(27(31)26(20)30)18-7-9-19(10-8-18)24-15-16-25(29(33)28(24)32)21-11-13-22(6-4-2)34-17-21/h7-10,12,14-16,21-22H,3-6,11,13,17H2,1-2H3
• InChIKey: QFXXXCURMRYKBB-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane?

The IUPAC name of 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane (CID 67733920) is 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane.

What is the SMILES notation for 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane?

The canonical SMILES for 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane is CCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)cc2)c(F)c1F.

What is the InChIKey of 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane?

The InChIKey is QFXXXCURMRYKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F4O/c1-3-5-20-12-14-23(27(31)26(20)30)18-7-9-19(10-8-18)24-15-16-25(29(33)28(24)32)21-11-13-22(6-4-2)34-17-21/h7-10,12,14-16,21-22H,3-6,11,13,17H2,1-2H3.

What are the key properties of 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane?

5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane has a molecular weight of 470.55 g/mol, XLogP of 8.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane is sourced from PubChem (CID 67733920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).