1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C24H23F5 — CID 88998938

About 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 88998938) has the molecular formula C24H23F5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

• Compound Name: 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
• PubChem CID: 88998938
• Molecular Formula: C24H23F5
• Molecular Weight: 406.44 g/mol
• Exact Mass: 406.17
• IUPAC Name: 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
• SMILES: CC1CCC(c2ccc(/C=C/c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)cc2)CC1
• InChI: InChI=1S/C24H23F5/c1-16-2-8-19(9-3-16)20-10-6-17(7-11-20)4-5-18-14-22(25)21(23(26)15-18)12-13-24(27,28)29/h4-7,10-16,19H,2-3,8-9H2,1H3/b5-4+,13-12+
• InChIKey: UEPMYOVMMGOMEU-XIIOSWEISA-N
• XLogP: 8.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.44
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?

The IUPAC name of 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 88998938) is 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

What is the SMILES notation for 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?

The canonical SMILES for 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is CC1CCC(c2ccc(/C=C/c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)cc2)CC1.

What is the InChIKey of 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?

The InChIKey is UEPMYOVMMGOMEU-XIIOSWEISA-N. The full InChI is InChI=1S/C24H23F5/c1-16-2-8-19(9-3-16)20-10-6-17(7-11-20)4-5-18-14-22(25)21(23(26)15-18)12-13-24(27,28)29/h4-7,10-16,19H,2-3,8-9H2,1H3/b5-4+,13-12+.

What are the key properties of 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?

1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 406.44 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-[(E)-2-[4-(4-methylcyclohexyl)phenyl]ethenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 88998938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).