C190H281F12N17O9 — CID 158448264
2-(difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane (PubChem CID 158448264) has the molecular formula C190H281F12N17O9 and a molecular weight of 3175.42 g/mol. Its IUPAC name is 2-(difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane.
| Compound Name | 2-(difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane |
|---|---|
| PubChem CID | 158448264 |
| Molecular Formula | C190H281F12N17O9 |
| Molecular Weight | 3175.42 g/mol |
| Exact Mass | 3173.19 |
| IUPAC Name | 2-(difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane |
| SMILES | CC(C)CCN1CCCCC1.CC(C)CCN1CCOCC1.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)c1ccc(CCN2CCOCC2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N2CCOCC2)cc1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1cccc(C(C)(C)O)n1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cncc(F)c1.CC(C)c1ncccc1F.COc1ccc(C(C)C)nc1.COc1cnc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)n1.Cc1ncccc1C(C)C |
| InChI | InChI=1S/C15H23NO.C13H19NO.C12H18N2O.C11H17NO.C10H21N.C9H12FNO.3C9H11F.C9H13NO.C9H19NO.3C9H13N.3C8H10FN.2C8H11N.C4H7F3O.C4H8F2O/c1-13(2)15-5-3-14(4-6-15)7-8-16-9-11-17-12-10-16;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)9-6-5-7-10(12-9)11(3,4)13;1-10(2)6-9-11-7-4-3-5-8-11;1-6(2)9-8(10)4-7(12-3)5-11-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-5-4-8(11-3)6-10-9;1-9(2)3-4-10-5-7-11-8-6-10;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6/h3-6,13H,7-12H2,1-2H3;3-6,11H,7-10H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-8,13H,1-4H3;10H,3-9H2,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;4-7H,1-3H3;9H,3-8H2,1-2H3;3*4-7H,1-3H3;3*3-6H,1-2H3;2*3-7H,1-2H3;3H,1-2H3;3-4H,1-2H3 |
| InChIKey | HDQSHYRXNPRHKE-UHFFFAOYSA-N |
| XLogP | 49.65 |
| TPSA | 264.95 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3175.42 |
| LogP ≤ 5 | 49.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|