C149H195F15O32 — CID 159820895
2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;ethyl 2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetate;ethyl 7-(2-fluoro-5-propan-2-ylphenoxy)heptanoate;ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoate;2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoic acid;2-(2-fluoro-5-propan-2-ylphenoxy)propanoic acid;(2-fluoro-5-propan-2-ylphenyl) propanoate;methyl 6-(2-fluoro-5-propan-2-ylphenoxy)hexanoate;methyl 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoate;methyl 2-(2-fluoro-5-propan-2-ylphenoxy)propanoate (PubChem CID 159820895) has the molecular formula C149H195F15O32 and a molecular weight of 2783.14 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;ethyl 2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetate;ethyl 7-(2-fluoro-5-propan-2-ylphenoxy)heptanoate;ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoate;2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoic acid;2-(2-fluoro-5-propan-2-ylphenoxy)propanoic acid;(2-fluoro-5-propan-2-ylphenyl) propanoate;methyl 6-(2-fluoro-5-propan-2-ylphenoxy)hexanoate;methyl 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoate;methyl 2-(2-fluoro-5-propan-2-ylphenoxy)propanoate.
| Compound Name | 2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;ethyl 2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetate;ethyl 7-(2-fluoro-5-propan-2-ylphenoxy)heptanoate;ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoate;2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoic acid;2-(2-fluoro-5-propan-2-ylphenoxy)propanoic acid;(2-fluoro-5-propan-2-ylphenyl) propanoate;methyl 6-(2-fluoro-5-propan-2-ylphenoxy)hexanoate;methyl 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoate;methyl 2-(2-fluoro-5-propan-2-ylphenoxy)propanoate |
|---|---|
| PubChem CID | 159820895 |
| Molecular Formula | C149H195F15O32 |
| Molecular Weight | 2783.14 g/mol |
| Exact Mass | 2781.34 |
| IUPAC Name | 2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;ethyl 2,2-difluoro-2-(2-fluoro-5-propan-2-ylphenoxy)acetate;ethyl 7-(2-fluoro-5-propan-2-ylphenoxy)heptanoate;ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoate;2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;2-(2-fluoro-5-propan-2-ylphenoxy)-2-methylpropanoic acid;2-(2-fluoro-5-propan-2-ylphenoxy)propanoic acid;(2-fluoro-5-propan-2-ylphenyl) propanoate;methyl 6-(2-fluoro-5-propan-2-ylphenoxy)hexanoate;methyl 5-(2-fluoro-5-propan-2-ylphenoxy)pentanoate;methyl 2-(2-fluoro-5-propan-2-ylphenoxy)propanoate |
| SMILES | CC(C)c1ccc(F)c(OC(C)(C)C(=O)O)c1.CC(C)c1ccc(F)c(OC(F)(F)C(=O)O)c1.CC(C)c1ccc(F)c(OCC(=O)O)c1.CC(Oc1cc(C(C)C)ccc1F)C(=O)O.CCC(=O)Oc1cc(C(C)C)ccc1F.CCOC(=O)C(C)(C)Oc1cc(C(C)C)ccc1F.CCOC(=O)C(F)(F)Oc1cc(C(C)C)ccc1F.CCOC(=O)CCCCCCOc1cc(C(C)C)ccc1F.COC(=O)C(C)Oc1cc(C(C)C)ccc1F.COC(=O)CCCCCOc1cc(C(C)C)ccc1F.COC(=O)CCCCOc1cc(C(C)C)ccc1F |
| InChI | InChI=1S/C18H27FO3.C16H23FO3.2C15H21FO3.C13H15F3O3.2C13H17FO3.C12H15FO3.C12H15FO2.C11H11F3O3.C11H13FO3/c1-4-21-18(20)9-7-5-6-8-12-22-17-13-15(14(2)3)10-11-16(17)19;1-12(2)13-8-9-14(17)15(11-13)20-10-6-4-5-7-16(18)19-3;1-6-18-14(17)15(4,5)19-13-9-11(10(2)3)7-8-12(13)16;1-11(2)12-7-8-13(16)14(10-12)19-9-5-4-6-15(17)18-3;1-4-18-12(17)13(15,16)19-11-7-9(8(2)3)5-6-10(11)14;1-8(2)9-5-6-10(14)11(7-9)17-13(3,4)12(15)16;1-8(2)10-5-6-11(14)12(7-10)17-9(3)13(15)16-4;1-7(2)9-4-5-10(13)11(6-9)16-8(3)12(14)15;1-4-12(14)15-11-7-9(8(2)3)5-6-10(11)13;1-6(2)7-3-4-8(12)9(5-7)17-11(13,14)10(15)16;1-7(2)8-3-4-9(12)10(5-8)15-6-11(13)14/h10-11,13-14H,4-9,12H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3;7-10H,6H2,1-5H3;7-8,10-11H,4-6,9H2,1-3H3;5-8H,4H2,1-3H3;5-8H,1-4H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3,(H,14,15);5-8H,4H2,1-3H3;3-6H,1-2H3,(H,15,16);3-5,7H,6H2,1-2H3,(H,13,14) |
| InChIKey | NMFJDYPYWQNYKZ-UHFFFAOYSA-N |
| XLogP | 37.29 |
| TPSA | 425.60 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2783.14 |
| LogP ≤ 5 | 37.29 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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