1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

C244H319F19O — CID 161275851

About 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (PubChem CID 161275851) has the molecular formula C244H319F19O and a molecular weight of 3629.20 g/mol. Its IUPAC name is 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

Molecular Properties

• Compound Name: 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• PubChem CID: 161275851
• Molecular Formula: C244H319F19O
• Molecular Weight: 3629.20 g/mol
• Exact Mass: 3626.46
• IUPAC Name: 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
• SMILES: C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.CCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1.CCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
• InChI: InChI=1S/C27H33F3.C26H31F3.C25H27F.C23H23F.C23H35F.C22H15F7O.C22H33F.C21H31F.C20H29F.C18H32.C17H30/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;1-2-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-24(27)26(29)25(28)16-23;1-3-5-6-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(4-2)9-13-21;1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22;1-2-3-12-4-6-13(7-5-12)14-8-16(23)20(17(24)9-14)22(28,29)30-15-10-18(25)21(27)19(26)11-15;1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20;1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h12-21H,2-11H2,1H3;11-20H,2-10H2,1H3;8-18H,3-7H2,1-2H3;6-16H,3-5H2,1-2H3;14-21H,2-13H2,1H3;4-11H,2-3H2,1H3;13-20H,2-12H2,1H3;12-19H,2-11H2,1H3;11-18H,2-10H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;4,14-17H,2-3,5-13H2,1H3/b;;;;;;;;;5-3+
• InChIKey: VEKVVHXIHRXASR-AHZXFDJOSA-N
• XLogP: 77.34
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 53
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3629.20
LogP ≤ 5	77.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The IUPAC name of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene (CID 161275851) is 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene.

What is the SMILES notation for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The canonical SMILES for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.CCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1.CCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.

What is the InChIKey of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

The InChIKey is VEKVVHXIHRXASR-AHZXFDJOSA-N. The full InChI is InChI=1S/C27H33F3.C26H31F3.C25H27F.C23H23F.C23H35F.C22H15F7O.C22H33F.C21H31F.C20H29F.C18H32.C17H30/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;1-2-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-24(27)26(29)25(28)16-23;1-3-5-6-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(4-2)9-13-21;1-3-5-18-8-12-20(13-9-18)22-15-14-21(16-23(22)24)19-10-6-17(4-2)7-11-19;1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22;1-2-3-12-4-6-13(7-5-12)14-8-16(23)20(17(24)9-14)22(28,29)30-15-10-18(25)21(27)19(26)11-15;1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20;1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h12-21H,2-11H2,1H3;11-20H,2-10H2,1H3;8-18H,3-7H2,1-2H3;6-16H,3-5H2,1-2H3;14-21H,2-13H2,1H3;4-11H,2-3H2,1H3;13-20H,2-12H2,1H3;12-19H,2-11H2,1H3;11-18H,2-10H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;4,14-17H,2-3,5-13H2,1H3/b;;;;;;;;;5-3+;.

What are the key properties of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene?

1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene has a molecular weight of 3629.20 g/mol, XLogP of 77.34, 53 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-fluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 161275851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).