1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

C208H250ClF21O2 — CID 161498575

About 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene

1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene (PubChem CID 161498575) has the molecular formula C208H250ClF21O2 and a molecular weight of 3216.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
• PubChem CID: 161498575
• Molecular Formula: C208H250ClF21O2
• Molecular Weight: 3216.70 g/mol
• Exact Mass: 3213.88
• IUPAC Name: 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
• SMILES: C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCCCC)CC2)CC1.C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.CCCC1CCC(c2ccc(OC)cc2)CC1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1.CCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C27H32F4.C23H20F4.C22H31F3O.C21H17ClF2.C21H16F4.C21H30.C20H14F4.C19H34.C18H32.C16H24O/c1-2-3-17-4-6-18(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;1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25;1-2-3-14-4-10-19(20(23)12-14)16-7-11-18(21(24)13-16)15-5-8-17(22)9-6-15;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;1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;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;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h12-20H,2-11H2,1H3;6-14H,2-5H2,1H3;12-19H,2-11H2,1H3;4-13H,2-3H2,1H3;4-12H,2-3H2,1H3;3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3;3-11H,2H2,1H3;4,16-19H,2-3,5-15H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;9-14H,3-8H2,1-2H3/b;;;;;;;;5-3+
• InChIKey: WGNQRGQZEYDEBM-CXCIXFEUSA-N
• XLogP: 66.51
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 44
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3216.70
LogP ≤ 5	66.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?

The IUPAC name of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene (CID 161498575) is 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene.

What is the SMILES notation for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?

The canonical SMILES for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene is C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCCCC)CC2)CC1.C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.CCCC1CCC(c2ccc(OC)cc2)CC1.CCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(Cl)cc3)c(F)c2)c(F)c1.CCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?

The InChIKey is WGNQRGQZEYDEBM-CXCIXFEUSA-N. The full InChI is InChI=1S/C27H32F4.C23H20F4.C22H31F3O.C21H17ClF2.C21H16F4.C21H30.C20H14F4.C19H34.C18H32.C16H24O/c1-2-3-17-4-6-18(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;1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25;1-2-3-14-4-10-19(20(23)12-14)16-7-11-18(21(24)13-16)15-5-8-17(22)9-6-15;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;1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;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;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h12-20H,2-11H2,1H3;6-14H,2-5H2,1H3;12-19H,2-11H2,1H3;4-13H,2-3H2,1H3;4-12H,2-3H2,1H3;3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3;3-11H,2H2,1H3;4,16-19H,2-3,5-15H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;9-14H,3-8H2,1-2H3/b;;;;;;;;5-3+;.

What are the key properties of 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene?

1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene has a molecular weight of 3216.70 g/mol, XLogP of 66.51, 44 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-2-fluoro-4-(2-fluoro-4-propylphenyl)benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluorobenzene;1-methoxy-4-(4-propylcyclohexyl)benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 161498575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).