5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

C172H226F20 — CID 161080004

About 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (PubChem CID 161080004) has the molecular formula C172H226F20 and a molecular weight of 2673.66 g/mol. Its IUPAC name is 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

Molecular Properties

• Compound Name: 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• PubChem CID: 161080004
• Molecular Formula: C172H226F20
• Molecular Weight: 2673.66 g/mol
• Exact Mass: 2671.74
• IUPAC Name: 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• SMILES: C=CC1CCC(C2CCC(CCCCC)CC2)CC1.CCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C27H33F3.C23H33F3.C22H31F3.C21H16F4.C21H29F3.C20H14F4.C19H34.C19H36/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-25(28)27(30)26(29)17-24;1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20;1-2-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-20(23)22(25)21(24)14-19;1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(22)10-15)16-11-19(23)21(25)20(24)12-16;1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18;1-2-12-3-5-13(6-4-12)14-7-8-16(17(21)9-14)15-10-18(22)20(24)19(23)11-15;1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h12-21H,2-11H2,1H3;14-19H,2-13H2,1H3;13-18H,2-12H2,1H3;4-12H,2-3H2,1H3;12-17H,2-11H2,1H3;3-11H,2H2,1H3;4,16-19H,2-3,5-15H2,1H3;16-19H,3-15H2,1-2H3
• InChIKey: UFUDJPJZCZQDMO-UHFFFAOYSA-N
• XLogP: 56.40
• TPSA: 0.00 Ų
• Rotatable Bonds: 39
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2673.66
LogP ≤ 5	56.40
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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The IUPAC name of 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (CID 161080004) is 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

What is the SMILES notation for 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The canonical SMILES for 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is C=CC1CCC(C2CCC(CCCCC)CC2)CC1.CCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1.CCCCC1CCC(C2CCC(CCC)CC2)CC1.CCCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CCCCCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1.CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The InChIKey is UFUDJPJZCZQDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3.C23H33F3.C22H31F3.C21H16F4.C21H29F3.C20H14F4.C19H34.C19H36/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-25(28)27(30)26(29)17-24;1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20;1-2-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-20(23)22(25)21(24)14-19;1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(22)10-15)16-11-19(23)21(25)20(24)12-16;1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18;1-2-12-3-5-13(6-4-12)14-7-8-16(17(21)9-14)15-10-18(22)20(24)19(23)11-15;1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h12-21H,2-11H2,1H3;14-19H,2-13H2,1H3;13-18H,2-12H2,1H3;4-12H,2-3H2,1H3;12-17H,2-11H2,1H3;3-11H,2H2,1H3;4,16-19H,2-3,5-15H2,1H3;16-19H,3-15H2,1-2H3.

What are the key properties of 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene has a molecular weight of 2673.66 g/mol, XLogP of 56.40, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 161080004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).