C224H327F9 — CID 161062291
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 161062291) has the molecular formula C224H327F9 and a molecular weight of 3191.06 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-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene.
| Compound Name | 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene |
|---|---|
| PubChem CID | 161062291 |
| Molecular Formula | C224H327F9 |
| Molecular Weight | 3191.06 g/mol |
| Exact Mass | 3188.54 |
| IUPAC Name | 1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene |
| SMILES | Cc1c(F)cc(C2CCC(/C=C/C3CCC(C)CC3)CC2)cc1F.Cc1c(F)cc(C2CCC(CCC3CCC(C)CC3)CC2)cc1F.Cc1c(F)cc(C2CCC(CCCCC3CCC(C)CC3)CC2)cc1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(C2CCC(/C=C/C3CCC(C)CC3)CC2)cc1.Cc1ccc(C2CCC(/C=C/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 |
| InChI | InChI=1S/C24H36F2.C24H37F.C24H38.C22H32F2.C22H30F2.C22H33F.C22H31F.C22H34.C22H32.C20H24/c1-17-7-9-19(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;2*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;2*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;2*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;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18/h15-17,19-21H,3-14H2,1-2H3;9,14,17-18,20-22H,3-8,10-13,15-16H2,1-2H3;9-10,15-16,19,21-22,24H,3-8,11-14,17-18H2,1-2H3;13-15,17-19H,3-12H2,1-2H3;7-8,13-15,17-19H,3-6,9-12H2,1-2H3;5,12,15-16,18-20H,3-4,6-11,13-14H2,1-2H3;5,8-9,12,15-16,18-20H,3-4,6-7,10-11,13-14H2,1-2H3;5-6,13-14,17,19-20,22H,3-4,7-12,15-16H2,1-2H3;5-6,9-10,13-14,17,19-20,22H,3-4,7-8,11-12,15-16H2,1-2H3;3-4,7-8,11-14,16,18H,5-6,9-10H2,1-2H3/b;;;;8-7+;;9-8+;;10-9+; |
| InChIKey | UDOBOWUWICRPSL-YTZPQWAPSA-N |
| XLogP | 70.75 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 41 |
| Heavy Atoms | 233 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3191.06 |
| LogP ≤ 5 | 70.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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