1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium

C221H276F11Y- — CID 162240093

About 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium

1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium (PubChem CID 162240093) has the molecular formula C221H276F11Y- and a molecular weight of 3230.52 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium.

Molecular Properties

• Compound Name: 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium
• PubChem CID: 162240093
• Molecular Formula: C221H276F11Y-
• Molecular Weight: 3230.52 g/mol
• Exact Mass: 3228.05
• IUPAC Name: 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium
• SMILES: CC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.Cc1c(F)cc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.Cc1c(F)cc(-c2ccc(CCC3CCC(C)CC3)cc2)cc1F.Cc1c(F)cc(-c2ccc(CCCCC3CCC(C)CC3)cc2)cc1F.Cc1c(F)cc(C2CCC(CCCCC3CCC(C)CC3)CC2)cc1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.Cc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2)cc1.Cc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2)cc1F.Cc1ccc(-c2ccc(CCCCC3CCC(C)CC3)cc2)cc1.Cc1ccc(-c2ccc(CCCCC3CCC(C)CC3)cc2)cc1F.[Y]
• InChI: InChI=1S/C24H36F2.C24H30F2.C24H31F.C24H32.C22H26F2.C22H27F.C22H28.C20H22F2.C20H23F.C19H21.Y/c2*1-17-7-9-19(10-8-17)5-3-4-6-20-11-13-21(14-12-20)22-15-23(25)18(2)24(26)16-22;1-18-7-10-20(11-8-18)5-3-4-6-21-12-15-22(16-13-21)23-14-9-19(2)24(25)17-23;1-19-7-11-21(12-8-19)5-3-4-6-22-13-17-24(18-14-22)23-15-9-20(2)10-16-23;1-15-3-5-17(6-4-15)7-8-18-9-11-19(12-10-18)20-13-21(23)16(2)22(24)14-20;1-16-3-6-18(7-4-16)8-9-19-10-13-20(14-11-19)21-12-5-17(2)22(23)15-21;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)18-11-19(21)14(2)20(22)12-18;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;/h15-17,19-21H,3-14H2,1-2H3;11-17,19H,3-10H2,1-2H3;9,12-18,20H,3-8,10-11H2,1-2H3;9-10,13-19,21H,3-8,11-12H2,1-2H3;9-15,17H,3-8H2,1-2H3;5,10-16,18H,3-4,6-9H2,1-2H3;5-6,11-17,19H,3-4,7-10H2,1-2H3;7-13,15H,3-6H2,1-2H3;5,8-14,16H,3-4,6-7H2,1-2H3;3-6,11-15,17H,7-10H2,1H3;/q;;;;;;;;;-1
• InChIKey: QESLMEXETGKWQM-UHFFFAOYSA-N
• XLogP: 67.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 42
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3230.52
LogP ≤ 5	67.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium?

The IUPAC name of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium (CID 162240093) is 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium.

What is the SMILES notation for 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium?

The canonical SMILES for 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium is CC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.Cc1c(F)cc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.Cc1c(F)cc(-c2ccc(CCC3CCC(C)CC3)cc2)cc1F.Cc1c(F)cc(-c2ccc(CCCCC3CCC(C)CC3)cc2)cc1F.Cc1c(F)cc(C2CCC(CCCCC3CCC(C)CC3)CC2)cc1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1F.Cc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2)cc1.Cc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2)cc1F.Cc1ccc(-c2ccc(CCCCC3CCC(C)CC3)cc2)cc1.Cc1ccc(-c2ccc(CCCCC3CCC(C)CC3)cc2)cc1F.[Y].

What is the InChIKey of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium?

The InChIKey is QESLMEXETGKWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2.C24H30F2.C24H31F.C24H32.C22H26F2.C22H27F.C22H28.C20H22F2.C20H23F.C19H21.Y/c2*1-17-7-9-19(10-8-17)5-3-4-6-20-11-13-21(14-12-20)22-15-23(25)18(2)24(26)16-22;1-18-7-10-20(11-8-18)5-3-4-6-21-12-15-22(16-13-21)23-14-9-19(2)24(25)17-23;1-19-7-11-21(12-8-19)5-3-4-6-22-13-17-24(18-14-22)23-15-9-20(2)10-16-23;1-15-3-5-17(6-4-15)7-8-18-9-11-19(12-10-18)20-13-21(23)16(2)22(24)14-20;1-16-3-6-18(7-4-16)8-9-19-10-13-20(14-11-19)21-12-5-17(2)22(23)15-21;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)18-11-19(21)14(2)20(22)12-18;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;/h15-17,19-21H,3-14H2,1-2H3;11-17,19H,3-10H2,1-2H3;9,12-18,20H,3-8,10-11H2,1-2H3;9-10,13-19,21H,3-8,11-12H2,1-2H3;9-15,17H,3-8H2,1-2H3;5,10-16,18H,3-4,6-9H2,1-2H3;5-6,11-17,19H,3-4,7-10H2,1-2H3;7-13,15H,3-6H2,1-2H3;5,8-14,16H,3-4,6-7H2,1-2H3;3-6,11-15,17H,7-10H2,1H3;/q;;;;;;;;;-1;.

What are the key properties of 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium?

1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium has a molecular weight of 3230.52 g/mol, XLogP of 67.41, 42 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium is sourced from PubChem (CID 162240093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).