2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane

C27H23F5O2 — CID 58535466

About 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane

2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane (PubChem CID 58535466) has the molecular formula C27H23F5O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane.

Molecular Properties

• Compound Name: 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
• PubChem CID: 58535466
• Molecular Formula: C27H23F5O2
• Molecular Weight: 474.47 g/mol
• Exact Mass: 474.16
• IUPAC Name: 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
• SMILES: C=Cc1ccc(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)c(F)c1
• InChI: InChI=1S/C27H23F5O2/c1-3-15-5-7-20(21(28)13-15)22-11-6-16(14-34-22)17-8-9-18(25(30)24(17)29)19-10-12-23(33-4-2)27(32)26(19)31/h3,5,7-10,12-13,16,22H,1,4,6,11,14H2,2H3
• InChIKey: UHOLUFDMCMFUSF-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.47
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane?

The IUPAC name of 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane (CID 58535466) is 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane.

What is the SMILES notation for 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane?

The canonical SMILES for 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane is C=Cc1ccc(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)c(F)c1.

What is the InChIKey of 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane?

The InChIKey is UHOLUFDMCMFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5O2/c1-3-15-5-7-20(21(28)13-15)22-11-6-16(14-34-22)17-8-9-18(25(30)24(17)29)19-10-12-23(33-4-2)27(32)26(19)31/h3,5,7-10,12-13,16,22H,1,4,6,11,14H2,2H3.

What are the key properties of 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane?

2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane has a molecular weight of 474.47 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethenyl-2-fluorophenyl)-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane is sourced from PubChem (CID 58535466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).