1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)

C33H23F7O2Y4-4 — CID 145464168

About 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)

1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium) (PubChem CID 145464168) has the molecular formula C33H23F7O2Y4-4 and a molecular weight of 940.15 g/mol. Its IUPAC name is 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium).

Molecular Properties

• Compound Name: 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)
• PubChem CID: 145464168
• Molecular Formula: C33H23F7O2Y4-4
• Molecular Weight: 940.15 g/mol
• Exact Mass: 939.78
• IUPAC Name: 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)
• SMILES: CC1CCC(c2ccc(C(F)(F)Oc3c[c-]c(-c4c[c-]c(-c5ccc(OC(F)(F)F)c(F)c5)[c-]c4)[c-]c3)c(F)c2)CC1.[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C33H23F7O2.4Y/c1-20-2-4-23(5-3-20)25-12-16-28(29(34)18-25)32(36,37)41-27-14-10-22(11-15-27)21-6-8-24(9-7-21)26-13-17-31(30(35)19-26)42-33(38,39)40;;;;/h6-7,12-20,23H,2-5H2,1H3;;;;/q-4
• InChIKey: SAHXDLWGXHPURB-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.15
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)?

The IUPAC name of 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium) (CID 145464168) is 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium).

What is the SMILES notation for 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)?

The canonical SMILES for 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium) is CC1CCC(c2ccc(C(F)(F)Oc3c[c-]c(-c4c[c-]c(-c5ccc(OC(F)(F)F)c(F)c5)[c-]c4)[c-]c3)c(F)c2)CC1.[Y].[Y].[Y].[Y].

What is the InChIKey of 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)?

The InChIKey is SAHXDLWGXHPURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23F7O2.4Y/c1-20-2-4-23(5-3-20)25-12-16-28(29(34)18-25)32(36,37)41-27-14-10-22(11-15-27)21-6-8-24(9-7-21)26-13-17-31(30(35)19-26)42-33(38,39)40;;;;/h6-7,12-20,23H,2-5H2,1H3;;;;/q-4;;;;.

What are the key properties of 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)?

1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium) has a molecular weight of 940.15 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium) is sourced from PubChem (CID 145464168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).