2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine
C242H323ClF11N11O5S — CID 159438682
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine
SMILESCC(C)(C)N1CCSCC1.CC(C)(C)c1cc(F)cc(C#N)c1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1C#N.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2ccncc21.COc1c(F)cc(F)cc1C(C)(C)C.COc1cc(F)ccc1C(C)(C)C.COc1ccc(C#N)cc1C(C)(C)C.COc1ccc(F)cc1C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1cc(C#N)cc(C(C)(C)C)c1.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H15N.C12H15NO.2C12H15N.2C12H18.C11H14F2O.C11H12FN.2C11H15FO.2C11H15F.2C11H14N2.C11H13N.C11H16O.C11H16.C10H13Cl.C10H12F2.2C10H13F.C8H17NS/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)10-7-9(8-13)5-6-11(10)14-4;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-9-5-10(8-13)7-11(6-9)12(2,3)4;1-9-6-7-10(2)11(8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)8-5-7(12)6-9(13)10(8)14-4;1-11(2,3)9-4-8(7-13)5-10(12)6-9;1-11(2,3)9-7-8(12)5-6-10(9)13-4;1-11(2,3)9-6-5-8(12)7-10(9)13-4;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2,3)9-4-6-10-7-5-9/h4-9H,1-3H3;5-7H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;2*6-8H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H2,1-3H3
InChIKeyLRWZDIHSDLCEJE-UHFFFAOYSA-N
MW3742.82 g/mol
LogP69.26
Rot. Bonds5
About 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine
2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine (PubChem CID 159438682) has the molecular formula C242H323ClF11N11O5S and a molecular weight of 3742.82 g/mol. Its IUPAC name is 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine.
Molecular Properties
| Compound Name | 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine |
|---|---|
| PubChem CID | 159438682 |
| Molecular Formula | C242H323ClF11N11O5S |
| Molecular Weight | 3742.82 g/mol |
| Exact Mass | 3739.46 |
| IUPAC Name | 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine |
| SMILES | CC(C)(C)N1CCSCC1.CC(C)(C)c1cc(F)cc(C#N)c1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1C#N.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2ccncc21.COc1c(F)cc(F)cc1C(C)(C)C.COc1cc(F)ccc1C(C)(C)C.COc1ccc(C#N)cc1C(C)(C)C.COc1ccc(F)cc1C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1cc(C#N)cc(C(C)(C)C)c1.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1ccccc1C(C)(C)C |
| InChI | InChI=1S/C13H15N.C12H15NO.2C12H15N.2C12H18.C11H14F2O.C11H12FN.2C11H15FO.2C11H15F.2C11H14N2.C11H13N.C11H16O.C11H16.C10H13Cl.C10H12F2.2C10H13F.C8H17NS/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)10-7-9(8-13)5-6-11(10)14-4;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-9-5-10(8-13)7-11(6-9)12(2,3)4;1-9-6-7-10(2)11(8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)8-5-7(12)6-9(13)10(8)14-4;1-11(2,3)9-4-8(7-13)5-10(12)6-9;1-11(2,3)9-7-8(12)5-6-10(9)13-4;1-11(2,3)9-6-5-8(12)7-10(9)13-4;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2,3)9-4-6-10-7-5-9/h4-9H,1-3H3;5-7H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;2*6-8H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H2,1-3H3 |
| InChIKey | LRWZDIHSDLCEJE-UHFFFAOYSA-N |
| XLogP | 69.26 |
| TPSA | 198.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 271 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3742.82 |
| LogP ≤ 5 | 69.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine?
The IUPAC name of 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine (CID 159438682) is 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine.
What is the SMILES notation for 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine?
The canonical SMILES for 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine is CC(C)(C)N1CCSCC1.CC(C)(C)c1cc(F)cc(C#N)c1.CC(C)(C)c1ccc(F)cc1F.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1C#N.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1ccccc1F.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2ccncc21.COc1c(F)cc(F)cc1C(C)(C)C.COc1cc(F)ccc1C(C)(C)C.COc1ccc(C#N)cc1C(C)(C)C.COc1ccc(F)cc1C(C)(C)C.COc1ccccc1C(C)(C)C.Cc1cc(C#N)cc(C(C)(C)C)c1.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C)c(C(C)(C)C)c1.Cc1ccc(F)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine?
The InChIKey is LRWZDIHSDLCEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H15NO.2C12H15N.2C12H18.C11H14F2O.C11H12FN.2C11H15FO.2C11H15F.2C11H14N2.C11H13N.C11H16O.C11H16.C10H13Cl.C10H12F2.2C10H13F.C8H17NS/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)10-7-9(8-13)5-6-11(10)14-4;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-9-5-10(8-13)7-11(6-9)12(2,3)4;1-9-6-7-10(2)11(8-9)12(3,4)5;1-9-7-6-8-10(2)11(9)12(3,4)5;1-11(2,3)8-5-7(12)6-9(13)10(8)14-4;1-11(2,3)9-4-8(7-13)5-10(12)6-9;1-11(2,3)9-7-8(12)5-6-10(9)13-4;1-11(2,3)9-6-5-8(12)7-10(9)13-4;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-5-6-9(12)7-10(8)11(2,3)4;1-11(2,3)13-7-5-9-4-6-12-8-10(9)13;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-5-4-7(11)6-9(8)12;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8(2,3)9-4-6-10-7-5-9/h4-9H,1-3H3;5-7H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;2*6-8H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;2*5-7H,1-4H3;2*5-7H,1-4H3;2*4-8H,1-3H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H2,1-3H3.
What are the key properties of 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine?
2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine has a molecular weight of 3742.82 g/mol, XLogP of 69.26, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzonitrile;1-tert-butyl-2-chlorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,5-difluoro-2-methoxybenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;1-tert-butyl-4-fluoro-2-methoxybenzene;2-tert-butyl-4-fluoro-1-methoxybenzene;1-tert-butyl-4-fluoro-2-methylbenzene;2-tert-butyl-4-fluoro-1-methylbenzene;1-tert-butylindole;1-tert-butyl-2-methoxybenzene;3-tert-butyl-4-methoxybenzonitrile;1-tert-butyl-2-methylbenzene;3-tert-butyl-5-methylbenzonitrile;1-tert-butylpyrrolo[2,3-b]pyridine;1-tert-butylpyrrolo[2,3-c]pyridine;5-tert-butylquinoline;4-tert-butylthiomorpholine is sourced from PubChem (CID 159438682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159438682 — identifiers, structure, computed properties (public domain)
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