1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene

C24H24F4O — CID 58140557

About 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene

1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene (PubChem CID 58140557) has the molecular formula C24H24F4O and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene.

Molecular Properties

• Compound Name: 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
• PubChem CID: 58140557
• Molecular Formula: C24H24F4O
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.18
• IUPAC Name: 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
• SMILES: C=Cc1ccc(/C=C/C2CCC(c3ccc(OCC)c(F)c3F)CC2)c(F)c1F
• InChI: InChI=1S/C24H24F4O/c1-3-16-11-12-18(22(26)21(16)25)10-7-15-5-8-17(9-6-15)19-13-14-20(29-4-2)24(28)23(19)27/h3,7,10-15,17H,1,4-6,8-9H2,2H3/b10-7+
• InChIKey: KYZGFSWYMIGSOE-JXMROGBWSA-N
• XLogP: 7.27
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene?

The IUPAC name of 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene (CID 58140557) is 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene.

What is the SMILES notation for 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene?

The canonical SMILES for 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene is C=Cc1ccc(/C=C/C2CCC(c3ccc(OCC)c(F)c3F)CC2)c(F)c1F.

What is the InChIKey of 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene?

The InChIKey is KYZGFSWYMIGSOE-JXMROGBWSA-N. The full InChI is InChI=1S/C24H24F4O/c1-3-16-11-12-18(22(26)21(16)25)10-7-15-5-8-17(9-6-15)19-13-14-20(29-4-2)24(28)23(19)27/h3,7,10-15,17H,1,4-6,8-9H2,2H3/b10-7+.

What are the key properties of 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene?

1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene has a molecular weight of 404.45 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene is sourced from PubChem (CID 58140557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).