C120H169Cl2F12N11OS — CID 161228943
3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine;methane (PubChem CID 161228943) has the molecular formula C120H169Cl2F12N11OS and a molecular weight of 2112.70 g/mol. Its IUPAC name is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine;methane.
| Compound Name | 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine;methane |
|---|---|
| PubChem CID | 161228943 |
| Molecular Formula | C120H169Cl2F12N11OS |
| Molecular Weight | 2112.70 g/mol |
| Exact Mass | 2110.24 |
| IUPAC Name | 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine;methane |
| SMILES | C.CC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.CC(C)N1CCCC1c1cc(F)ccc1C(F)F.CC(C)N1CCCC1c1cc(F)ccc1Cl.CC(C)N1CCCC1c1cccc(F)c1.COc1ccc(F)cc1C1CCCN1C(C)C |
| InChI | InChI=1S/C14H17F4N.C14H18F3N.C14H20FNO.2C13H17ClFN.C13H19FN2.C13H18FN.C13H20N2.C12H19NS.CH4/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18;1-9(2)18-7-3-4-13(18)12-8-10(15)5-6-11(12)14(16)17;1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-7-3-4-13(16)11-8-10(15)5-6-12(11)14;1-9(2)16-5-3-4-13(16)10-6-11(14)8-12(15)7-10;1-13(2,3)16-6-4-5-12(16)10-7-11(14)9-15-8-10;1-10(2)15-8-4-7-13(15)11-5-3-6-12(14)9-11;1-13(2,3)15-10-6-8-12(15)11-7-4-5-9-14-11;1-12(2,3)13-8-4-6-10(13)11-7-5-9-14-11;/h5-6,8-9,13H,3-4,7H2,1-2H3;5-6,8-9,13-14H,3-4,7H2,1-2H3;6-7,9-10,13H,4-5,8H2,1-3H3;5-6,8-9,13H,3-4,7H2,1-2H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;3,5-6,9-10,13H,4,7-8H2,1-2H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3;1H4 |
| InChIKey | UYMLZKZCFBBNNZ-UHFFFAOYSA-N |
| XLogP | 33.99 |
| TPSA | 64.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2112.70 |
| LogP ≤ 5 | 33.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |