C197H246F8N20 — CID 161160818
4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-6-fluoro-1H-indole;bis(4-tert-butyl-7-fluoro-1H-indole);6-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluoro-1-methylindole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-6-methyl-1H-indole;4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole (PubChem CID 161160818) has the molecular formula C197H246F8N20 and a molecular weight of 3046.26 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-6-fluoro-1H-indole;bis(4-tert-butyl-7-fluoro-1H-indole);6-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluoro-1-methylindole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-6-methyl-1H-indole;4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole.
| Compound Name | 4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-6-fluoro-1H-indole;bis(4-tert-butyl-7-fluoro-1H-indole);6-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluoro-1-methylindole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-6-methyl-1H-indole;4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole |
|---|---|
| PubChem CID | 161160818 |
| Molecular Formula | C197H246F8N20 |
| Molecular Weight | 3046.26 g/mol |
| Exact Mass | 3043.97 |
| IUPAC Name | 4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-6-fluoro-1H-indole;bis(4-tert-butyl-7-fluoro-1H-indole);6-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluoro-1-methylindole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-6-methyl-1H-indole;4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole |
| SMILES | CC(C)(C)c1c[nH]c2cc(F)ccc12.CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1ccc(F)c2[nH]ccc12.CC(C)(C)c1ccc(F)c2[nH]ccc12.CC(C)(C)c1cccc2c1ccn2CCF.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.Cc1cc(C(C)(C)C)cc2cn[nH]c12.Cc1ccc2c(C(C)(C)C)c[nH]c2c1.Cn1cc(C(C)(C)C)c2cc(F)ccc21.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cccc(C(C)(C)C)c21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2cccc(C(C)(C)C)c21 |
| InChI | InChI=1S/C14H18FN.C13H16FN.3C13H17N.6C12H14FN.3C12H16N2.C12H15N.C11H14N2/c1-14(2,3)12-5-4-6-13-11(12)7-9-16(13)10-8-15;1-13(2,3)11-8-15(4)12-6-5-9(14)7-10(11)12;1-9-5-6-10-11(13(2,3)4)8-14-12(10)7-9;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11;2*1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-7,9H,8,10H2,1-3H3;5-8H,1-4H3;5-8,14H,1-4H3;2*5-9H,1-4H3;6*4-7,14H,1-3H3;5-7H,1-4H3,(H,13,14);2*5-8H,1-4H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13) |
| InChIKey | UPWXIBKINZMDEP-UHFFFAOYSA-N |
| XLogP | 55.11 |
| TPSA | 239.04 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 225 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3046.26 |
| LogP ≤ 5 | 55.11 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 10 |