C267H350ClF5N16O4 — CID 159255576
1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 159255576) has the molecular formula C267H350ClF5N16O4 and a molecular weight of 3978.29 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine.
| Compound Name | 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 159255576 |
| Molecular Formula | C267H350ClF5N16O4 |
| Molecular Weight | 3978.29 g/mol |
| Exact Mass | 3974.73 |
| IUPAC Name | 1-chloro-3-fluoro-2-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;3-propan-2-ylisoquinoline;4-(2-propan-2-ylphenyl)morpholine;bis(1-(3-propan-2-ylphenyl)piperidine);1-(2-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine |
| SMILES | CC(C)c1c(F)cccc1Cl.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2c(c1)OC(C)(F)O2.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(C2CCCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(N2CCCCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.CC(C)c1ccccc1N1CCCC1.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncccc1C(F)(F)F.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1 |
| InChI | InChI=1S/C15H16O.C15H22.C15H16.2C14H21N.C14H20.C13H19NO.2C13H19N.2C12H13N.C11H13FO2.2C11H12N2.3C10H14.C9H10ClF.C9H10F3N.4C9H13N/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;2*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;2*1-12(2)13-7-6-8-14(11-13)15-9-4-3-5-10-15;1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-14;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-7(2)8-4-5-9-10(6-8)14-11(3,12)13-9;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;3-12H,1-2H3;2*6-8,11-12H,3-5,9-10H2,1-2H3;5,8-12H,3-4,6-7H2,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-4,7-8,11H,5-6,9-10H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;2*3-8H,1-2H3;3*4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;4*4-7H,1-3H3 |
| InChIKey | KVVUONONWVZMNG-UHFFFAOYSA-N |
| XLogP | 77.15 |
| TPSA | 194.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3978.29 |
| LogP ≤ 5 | 77.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |