1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene

C25H28F4 — CID 58140997

About 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene

1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene (PubChem CID 58140997) has the molecular formula C25H28F4 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene.

Molecular Properties

• Compound Name: 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene
• PubChem CID: 58140997
• Molecular Formula: C25H28F4
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.21
• IUPAC Name: 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene
• SMILES: CCCc1ccc(C2CCC(/C=C/c3ccc(CC)c(F)c3F)CC2)c(F)c1F
• InChI: InChI=1S/C25H28F4/c1-3-5-19-14-15-21(25(29)24(19)28)18-9-6-16(7-10-18)8-11-20-13-12-17(4-2)22(26)23(20)27/h8,11-16,18H,3-7,9-10H2,1-2H3/b11-8+
• InChIKey: LPQCFUXAFBKYCH-DHZHZOJOSA-N
• XLogP: 7.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene (CID 58140997) is 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene.

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

The canonical SMILES for 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene is CCCc1ccc(C2CCC(/C=C/c3ccc(CC)c(F)c3F)CC2)c(F)c1F.

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

The InChIKey is LPQCFUXAFBKYCH-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H28F4/c1-3-5-19-14-15-21(25(29)24(19)28)18-9-6-16(7-10-18)8-11-20-13-12-17(4-2)22(26)23(20)27/h8,11-16,18H,3-7,9-10H2,1-2H3/b11-8+.

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

1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene has a molecular weight of 404.49 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethenyl]-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 58140997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).