C169H236ClF12N7O16 — CID 161006394
4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline (PubChem CID 161006394) has the molecular formula C169H236ClF12N7O16 and a molecular weight of 2885.21 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline.
| Compound Name | 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline |
|---|---|
| PubChem CID | 161006394 |
| Molecular Formula | C169H236ClF12N7O16 |
| Molecular Weight | 2885.21 g/mol |
| Exact Mass | 2882.74 |
| IUPAC Name | 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline |
| SMILES | CC(C)(C)c1ccc(=O)n(C(F)F)c1.CC(C)(C)c1ccc(=O)n(CC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCNCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCN2CCCC2=O)c1.CC(C)(C)c1ccc2c(F)ccnc2c1.CC(C)(C)c1cccc(OC(F)F)c1.CC(C)(O)COc1cc(C(C)(C)C)ccc1F.CCCN(C)C(=O)Oc1cc(C(C)(C)C)ccc1F.CN1CCC(COc2cc(C(C)(C)C)ccc2F)CC1 |
| InChI | InChI=1S/C17H26FNO.C16H24FNO.C16H23FO2.C15H20FNO2.C15H22FNO2.C15H21FO2.C14H19ClO.C14H21FO2.C13H14FN.C13H19NO.C11H14F2O.C10H13F2NO/c1-17(2,3)14-5-6-15(18)16(11-14)20-12-13-7-9-19(4)10-8-13;2*1-16(2,3)13-4-5-14(17)15(10-13)19-11-12-6-8-18-9-7-12;1-15(2,3)11-6-7-12(16)13(9-11)19-10-17-8-4-5-14(17)18;1-6-9-17(5)14(18)19-13-10-11(15(2,3)4)7-8-12(13)16;1-15(2,3)11-4-5-13(16)14(10-11)18-12-6-8-17-9-7-12;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;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-13(2,3)11-6-7-12(15)14(9-11)8-10-4-5-10;1-11(2,3)8-5-4-6-9(7-8)14-10(12)13;1-10(2,3)7-4-5-8(14)13(6-7)9(11)12/h5-6,11,13H,7-10,12H2,1-4H3;4-5,10,12,18H,6-9,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,9H,4-5,8,10H2,1-3H3;7-8,10H,6,9H2,1-5H3;4-5,10,12H,6-9H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;6-8,16H,9H2,1-5H3;4-8H,1-3H3;6-7,9-10H,4-5,8H2,1-3H3;4-7,10H,1-3H3;4-6,9H,1-3H3 |
| InChIKey | TWOCPDQREPCJGV-UHFFFAOYSA-N |
| XLogP | 42.05 |
| TPSA | 234.54 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2885.21 |
| LogP ≤ 5 | 42.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |