C159H256F4N12O — CID 157324389
2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane (PubChem CID 157324389) has the molecular formula C159H256F4N12O and a molecular weight of 2427.87 g/mol. Its IUPAC name is 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane.
| Compound Name | 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane |
|---|---|
| PubChem CID | 157324389 |
| Molecular Formula | C159H256F4N12O |
| Molecular Weight | 2427.87 g/mol |
| Exact Mass | 2426.03 |
| IUPAC Name | 2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane |
| SMILES | CC(C)C(C)C.CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccc1F.CC(C)C(C)c1ccccn1.CC(C)C1CCC1.CC(C)C1COC1.CC(C)CC1CCCN1.CC(C)CC1CCCN1C.CC(C)CC1CCNCC1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1F.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1cnccn1.CC(C)Cc1ncccc1F.CC(C)Cc1ncccn1 |
| InChI | InChI=1S/C11H15F.C11H16.2C10H13F.C10H15N.C10H14.C9H12FN.2C9H19N.3C9H13N.2C8H12N2.C8H17N.C7H14.C6H12O.C6H14/c1-8(2)9(3)10-6-4-5-7-11(10)12;1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-9-8(10)4-3-5-11-9;1-8(2)7-9-5-4-6-10(9)3;2*1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-6-9-3-4-10-8;1-7(2)6-8-9-4-3-5-10-8;1-7(2)6-8-4-3-5-9-8;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-6;1-5(2)6(3)4/h4-9H,1-3H3;4-10H,1-3H3;2*3-6,8H,7H2,1-2H3;4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3;8-9H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3 |
| InChIKey | BENROSWUNGVNGC-UHFFFAOYSA-N |
| XLogP | 43.39 |
| TPSA | 152.54 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2427.87 |
| LogP ≤ 5 | 43.39 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 13 |