5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C23H16F6 — CID 59247520

About 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 59247520) has the molecular formula C23H16F6 and a molecular weight of 406.37 g/mol. Its IUPAC name is 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

• Compound Name: 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
• PubChem CID: 59247520
• Molecular Formula: C23H16F6
• Molecular Weight: 406.37 g/mol
• Exact Mass: 406.12
• IUPAC Name: 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
• SMILES: CCc1ccc(-c2ccc(-c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C23H16F6/c1-2-14-3-5-15(6-4-14)16-7-8-18(20(24)11-16)17-12-21(25)19(22(26)13-17)9-10-23(27,28)29/h3-13H,2H2,1H3/b10-9+
• InChIKey: HRDFKGULUYCKQV-MDZDMXLPSA-N
• XLogP: 7.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.37
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 59247520) is 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

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

The canonical SMILES for 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is CCc1ccc(-c2ccc(-c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)c(F)c2)cc1.

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

The InChIKey is HRDFKGULUYCKQV-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H16F6/c1-2-14-3-5-15(6-4-14)16-7-8-18(20(24)11-16)17-12-21(25)19(22(26)13-17)9-10-23(27,28)29/h3-13H,2H2,1H3/b10-9+.

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

5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 406.37 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 59247520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).