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

C23H15F7O — CID 88999007

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

5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 88999007) has the molecular formula C23H15F7O and a molecular weight of 440.36 g/mol. Its IUPAC name is 5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

• Compound Name: 5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
• PubChem CID: 88999007
• Molecular Formula: C23H15F7O
• Molecular Weight: 440.36 g/mol
• Exact Mass: 440.10
• IUPAC Name: 5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
• SMILES: Cc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(/C=C/C(F)(F)F)c(F)c3)cc2)cc1
• InChI: InChI=1S/C23H15F7O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)23(29,30)31-18-12-20(24)19(21(25)13-18)10-11-22(26,27)28/h2-13H,1H3/b11-10+
• InChIKey: YDSPWKMSPGWXKP-ZHACJKMWSA-N
• XLogP: 7.64
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.36
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 88999007) is 5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

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

The canonical SMILES for 5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is Cc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(/C=C/C(F)(F)F)c(F)c3)cc2)cc1.

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

The InChIKey is YDSPWKMSPGWXKP-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H15F7O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)23(29,30)31-18-12-20(24)19(21(25)13-18)10-11-22(26,27)28/h2-13H,1H3/b11-10+.

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

5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 440.36 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 88999007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).