C167H229ClF20O13 — CID 158952064
4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 158952064) has the molecular formula C167H229ClF20O13 and a molecular weight of 2860.07 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene.
| Compound Name | 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene |
|---|---|
| PubChem CID | 158952064 |
| Molecular Formula | C167H229ClF20O13 |
| Molecular Weight | 2860.07 g/mol |
| Exact Mass | 2857.66 |
| IUPAC Name | 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-methylbenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;4-tert-butyl-1-fluoro-2-(2-methylpropoxy)benzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-1-fluoro-2-(trifluoromethoxy)benzene |
| SMILES | CC(C)(C)COc1cc(C(C)(C)C)ccc1F.CC(C)(C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)c1ccc(F)c(OCC(F)(F)F)c1.CC(C)(C)c1ccc(F)c(OCC(F)F)c1.CC(C)(C)c1ccc(F)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(O)COc1cc(C(C)(C)C)ccc1F.CC(C)COc1cc(C(C)(C)C)ccc1F.Cc1ccc(C(C)(C)C)cc1OCC1CC1 |
| InChI | InChI=1S/C16H23FO.C15H19F3O.C15H21FO.C15H23FO.C15H22O.C14H19ClO.C14H21FO2.C14H19FO.C14H21FO.C12H14F4O.C12H15F3O.C11H12F4O/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-14(2,3)11-6-7-12(15(16,17)18)13(8-11)19-9-10-4-5-10;1-15(2,3)12-7-8-13(16)14(9-12)17-10-11-5-4-6-11;1-14(2,3)10-17-13-9-11(15(4,5)6)7-8-12(13)16;1-11-5-8-13(15(2,3)4)9-14(11)16-10-12-6-7-12;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-13(2,3)10-6-7-11(15)12(8-10)17-9-14(4,5)16;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-10(2)9-16-13-8-11(14(3,4)5)6-7-12(13)15;1-11(2,3)8-4-5-9(13)10(6-8)17-7-12(14,15)16;1-12(2,3)8-4-5-9(13)10(6-8)16-7-11(14)15;1-10(2,3)7-4-5-8(12)9(6-7)16-11(13,14)15/h8-10,12H,4-7,11H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;7-9H,10H2,1-6H3;5,8-9,12H,6-7,10H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;6-8,16H,9H2,1-5H3;6-8,10H,4-5,9H2,1-3H3;6-8,10H,9H2,1-5H3;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3;4-6H,1-3H3 |
| InChIKey | JLNZXOKHRNFLRR-UHFFFAOYSA-N |
| XLogP | 50.04 |
| TPSA | 130.99 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2860.07 |
| LogP ≤ 5 | 50.04 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 13 |