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

C24H17F7 — CID 162555856

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

2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene (PubChem CID 162555856) has the molecular formula C24H17F7 and a molecular weight of 438.39 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

• Compound Name: 2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene
• PubChem CID: 162555856
• Molecular Formula: C24H17F7
• Molecular Weight: 438.39 g/mol
• Exact Mass: 438.12
• IUPAC Name: 2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene
• SMILES: Cc1ccc(CCc2cc(F)c(-c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C24H17F7/c1-14-2-4-15(5-3-14)6-7-16-10-21(27)23(22(28)11-16)17-12-19(25)18(20(26)13-17)8-9-24(29,30)31/h2-5,8-13H,6-7H2,1H3/b9-8+
• InChIKey: USEPUARCQGFOIW-CMDGGOBGSA-N
• XLogP: 7.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.39
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of 2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene (CID 162555856) is 2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene.

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

The canonical SMILES for 2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene is Cc1ccc(CCc2cc(F)c(-c3cc(F)c(/C=C/C(F)(F)F)c(F)c3)c(F)c2)cc1.

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

The InChIKey is USEPUARCQGFOIW-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H17F7/c1-14-2-4-15(5-3-14)6-7-16-10-21(27)23(22(28)11-16)17-12-19(25)18(20(26)13-17)8-9-24(29,30)31/h2-5,8-13H,6-7H2,1H3/b9-8+.

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

2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene has a molecular weight of 438.39 g/mol, XLogP of 7.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 162555856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).