5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

C134H154F20 — CID 159220053

About 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (PubChem CID 159220053) has the molecular formula C134H154F20 and a molecular weight of 2144.67 g/mol. Its IUPAC name is 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

Molecular Properties

• Compound Name: 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• PubChem CID: 159220053
• Molecular Formula: C134H154F20
• Molecular Weight: 2144.67 g/mol
• Exact Mass: 2143.17
• IUPAC Name: 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• SMILES: C=CC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.C=CCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1
• InChI: InChI=1S/C28H34F4.C27H32F4.C27H30F4.C26H30F4.C26H28F4/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-24(25(29)15-22)23-16-26(30)28(32)27(31)17-23;2*1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23(24(28)14-21)22-15-25(29)27(31)26(30)16-22;2*1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22(23(27)13-20)21-14-24(28)26(30)25(29)15-21/h13-21H,2-12H2,1H3;12-20H,2-11H2,1H3;2,12-20H,1,3-11H2;11-19H,2-10H2,1H3;2,11-19H,1,3-10H2
• InChIKey: KROJWKUEPAEOQW-UHFFFAOYSA-N
• XLogP: 43.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2144.67
LogP ≤ 5	43.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'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-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The IUPAC name of 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (CID 159220053) is 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

What is the SMILES notation for 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The canonical SMILES for 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is C=CC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.C=CCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.

What is the InChIKey of 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The InChIKey is KROJWKUEPAEOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F4.C27H32F4.C27H30F4.C26H30F4.C26H28F4/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-14-24(25(29)15-22)23-16-26(30)28(32)27(31)17-23;2*1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23(24(28)14-21)22-15-25(29)27(31)26(30)16-22;2*1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22(23(27)13-20)21-14-24(28)26(30)25(29)15-21/h13-21H,2-12H2,1H3;12-20H,2-11H2,1H3;2,12-20H,1,3-11H2;11-19H,2-10H2,1H3;2,11-19H,1,3-10H2.

What are the key properties of 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene has a molecular weight of 2144.67 g/mol, XLogP of 43.11, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 159220053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).