C290H293F41O10 — CID 158041585
2-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-5-(2,6-difluoro-4-methylphenyl)-1,3-difluorobenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-1,3-difluoro-5-methylbenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]phenyl]-1,3-difluoro-5-methylbenzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenoxy]methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;4-[difluoro-[4-[2-(4-methylphenyl)ethynyl]phenyl]methoxy]-2-fluoro-1-(4-methylcyclohexyl)benzene (PubChem CID 158041585) has the molecular formula C290H293F41O10 and a molecular weight of 4717.44 g/mol. Its IUPAC name is 2-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-5-(2,6-difluoro-4-methylphenyl)-1,3-difluorobenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-1,3-difluoro-5-methylbenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]phenyl]-1,3-difluoro-5-methylbenzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenoxy]methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;4-[difluoro-[4-[2-(4-methylphenyl)ethynyl]phenyl]methoxy]-2-fluoro-1-(4-methylcyclohexyl)benzene.
| Compound Name | 2-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-5-(2,6-difluoro-4-methylphenyl)-1,3-difluorobenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-1,3-difluoro-5-methylbenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]phenyl]-1,3-difluoro-5-methylbenzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenoxy]methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;4-[difluoro-[4-[2-(4-methylphenyl)ethynyl]phenyl]methoxy]-2-fluoro-1-(4-methylcyclohexyl)benzene |
|---|---|
| PubChem CID | 158041585 |
| Molecular Formula | C290H293F41O10 |
| Molecular Weight | 4717.44 g/mol |
| Exact Mass | 4714.18 |
| IUPAC Name | 2-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-1,3-difluoro-5-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[3-fluoro-4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-5-(2,6-difluoro-4-methylphenyl)-1,3-difluorobenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]-1,3-difluoro-5-methylbenzene;2-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]oxymethyl]phenyl]-1,3-difluoro-5-methylbenzene;2-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenoxy]methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-2-fluoro-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;4-[difluoro-[4-[2-(4-methylphenyl)ethynyl]phenyl]methoxy]-2-fluoro-1-(4-methylcyclohexyl)benzene |
| SMILES | Cc1cc(F)c(-c2cc(F)c(C(F)(F)OC3CCC(/C=C/C4CCC(C)CC4)CC3)c(F)c2)c(F)c1.Cc1cc(F)c(-c2ccc(C(F)(F)OC3CCC(/C=C/C4CCC(C)CC4)CC3)c(F)c2)c(F)c1.Cc1cc(F)c(-c2ccc(C(F)(F)OC3CCC(/C=C/C4CCC(C)CC4)CC3)cc2)c(F)c1.Cc1ccc(-c2cc(F)c(C(F)(F)OC3CCC(/C=C/C4CCC(C)CC4)CC3)c(F)c2)c(F)c1.Cc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(/C=C/C4CCC(C)CC4)cc3)c(F)c2)cc1.Cc1ccc(C#Cc2cc(F)c(C(F)(F)Oc3ccc(C4CCC(C)CC4)c(F)c3)c(F)c2)cc1.Cc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C4CCC(C)CC4)c(F)c3)c(F)c2)cc1.Cc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C4CCC(C)CC4)c(F)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C4CCC(C)CC4)cc3)c(F)c2)cc1.Cc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C4CCC(C)CC4)cc3)cc2)cc1 |
| InChI | InChI=1S/C29H32F6O.C29H25F5O.2C29H33F5O.C29H28F4O.C29H26F4O.C29H34F4O.2C29H27F3O.C29H28F2O/c1-17-3-5-19(6-4-17)7-8-20-9-11-22(12-10-20)36-29(34,35)28-25(32)15-21(16-26(28)33)27-23(30)13-18(2)14-24(27)31;1-18-3-7-20(8-4-18)9-10-21-15-26(31)28(27(32)16-21)29(33,34)35-23-13-14-24(25(30)17-23)22-11-5-19(2)6-12-22;1-18-3-6-20(7-4-18)8-9-21-10-12-23(13-11-21)35-29(33,34)28-26(31)16-22(17-27(28)32)24-14-5-19(2)15-25(24)30;1-18-3-5-20(6-4-18)7-8-21-9-12-23(13-10-21)35-29(33,34)24-14-11-22(17-25(24)30)28-26(31)15-19(2)16-27(28)32;1-19-3-7-21(8-4-19)9-10-22-11-15-25(16-12-22)34-29(32,33)28-26(30)17-24(18-27(28)31)23-13-5-20(2)6-14-23;1-19-3-7-21(8-4-19)9-10-22-11-16-26(28(31)17-22)29(32,33)34-24-14-15-25(27(30)18-24)23-12-5-20(2)6-13-23;1-19-3-5-21(6-4-19)7-8-22-9-15-25(16-10-22)34-29(32,33)24-13-11-23(12-14-24)28-26(30)17-20(2)18-27(28)31;1-20-3-7-22(8-4-20)9-10-23-11-15-25(16-12-23)29(31,32)33-26-17-18-27(28(30)19-26)24-13-5-21(2)6-14-24;1-20-3-7-22(8-4-20)9-10-23-11-18-27(28(30)19-23)29(31,32)33-26-16-14-25(15-17-26)24-12-5-21(2)6-13-24;1-21-3-7-23(8-4-21)9-10-24-11-17-27(18-12-24)29(30,31)32-28-19-15-26(16-20-28)25-13-5-22(2)6-14-25/h7-8,13-17,19-20,22H,3-6,9-12H2,1-2H3;3-4,7-8,13-17,19,22H,5-6,11-12H2,1-2H3;5,8-9,14-18,20-21,23H,3-4,6-7,10-13H2,1-2H3;7-8,11,14-18,20-21,23H,3-6,9-10,12-13H2,1-2H3;5-6,9-19,21H,3-4,7-8H2,1-2H3;3-4,7-8,11,14-18,20,23H,5-6,12-13H2,1-2H3;7-8,11-14,17-19,21-22,25H,3-6,9-10,15-16H2,1-2H3;3-4,7-8,11-12,15-19,21,24H,5-6,13-14H2,1-2H3;3-4,7-8,11,14-19,21,24H,5-6,12-13H2,1-2H3;3-4,7-8,11-12,15-20,22,25H,5-6,13-14H2,1-2H3/b8-7+;;9-8+;8-7+;10-9+;;8-7+;;; |
| InChIKey | FIKMFNGNIOPDRR-MFLLMRBCSA-N |
| XLogP | 85.31 |
| TPSA | 92.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 341 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4717.44 |
| LogP ≤ 5 | 85.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |