C168H224F24S8 — CID 159478085
2-[4-[4-(cyclopenten-1-yl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene (PubChem CID 159478085) has the molecular formula C168H224F24S8 and a molecular weight of 2956.13 g/mol. Its IUPAC name is 2-[4-[4-(cyclopenten-1-yl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene.
| Compound Name | 2-[4-[4-(cyclopenten-1-yl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene |
|---|---|
| PubChem CID | 159478085 |
| Molecular Formula | C168H224F24S8 |
| Molecular Weight | 2956.13 g/mol |
| Exact Mass | 2953.49 |
| IUPAC Name | 2-[4-[4-(cyclopenten-1-yl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)thiophene;2-[4-[4-(2-methylcyclopropyl)cyclohexyl]cyclohexyl]-5-(trifluoromethyl)thiophene |
| SMILES | CC1CC1C1CCC(C2CC=C(c3ccc(C(F)(F)F)s3)CC2)CC1.CC1CC1C1CCC(C2CCC(c3ccc(C(F)(F)F)s3)CC2)CC1.FC(F)(F)c1ccc(C2=CCC(C3CCC(C4CC4)CC3)CC2)s1.FC(F)(F)c1ccc(C2=CCC(C3CCC(CC4CC4)CC3)CC2)s1.FC(F)(F)c1ccc(C2CCC(C3CCC(C4=CCCC4)CC3)CC2)s1.FC(F)(F)c1ccc(C2CCC(C3CCC(C4CC4)CC3)CC2)s1.FC(F)(F)c1ccc(C2CCC(C3CCC(C4CCCC4)CC3)CC2)s1.FC(F)(F)c1ccc(C2CCC(C3CCC(CC4CC4)CC3)CC2)s1 |
| InChI | InChI=1S/C22H31F3S.C22H29F3S.C21H29F3S.C21H27F3S.C21H29F3S.C21H27F3S.C20H27F3S.C20H25F3S/c2*23-22(24,25)21-14-13-20(26-21)19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-3-1-2-4-15;2*1-13-12-18(13)16-6-2-14(3-7-16)15-4-8-17(9-5-15)19-10-11-20(25-19)21(22,23)24;2*22-21(23,24)20-12-11-19(25-20)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-14-1-2-14;2*21-20(22,23)19-12-11-18(24-19)17-9-7-16(8-10-17)15-5-3-14(4-6-15)13-1-2-13/h13-19H,1-12H2;3,13-14,16-19H,1-2,4-12H2;10-11,13-18H,2-9,12H2,1H3;8,10-11,13-16,18H,2-7,9,12H2,1H3;11-12,14-18H,1-10,13H2;9,11-12,14-17H,1-8,10,13H2;11-17H,1-10H2;9,11-16H,1-8,10H2 |
| InChIKey | LWQJQLMJUPGQGF-UHFFFAOYSA-N |
| XLogP | 60.54 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 200 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2956.13 |
| LogP ≤ 5 | 60.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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