C201H278BrF15O5 — CID 161417149
2-bromopropane;1-butyl-4-propan-2-ylbenzene;2-(difluoromethoxy)propane;1-ethyl-2-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoropropane;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-yloxetane;3-propan-2-yloxyoxetane;1-propan-2-yl-4-propylbenzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 161417149) has the molecular formula C201H278BrF15O5 and a molecular weight of 3139.30 g/mol. Its IUPAC name is 2-bromopropane;1-butyl-4-propan-2-ylbenzene;2-(difluoromethoxy)propane;1-ethyl-2-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoropropane;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-yloxetane;3-propan-2-yloxyoxetane;1-propan-2-yl-4-propylbenzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
| Compound Name | 2-bromopropane;1-butyl-4-propan-2-ylbenzene;2-(difluoromethoxy)propane;1-ethyl-2-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoropropane;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-yloxetane;3-propan-2-yloxyoxetane;1-propan-2-yl-4-propylbenzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene |
|---|---|
| PubChem CID | 161417149 |
| Molecular Formula | C201H278BrF15O5 |
| Molecular Weight | 3139.30 g/mol |
| Exact Mass | 3136.04 |
| IUPAC Name | 2-bromopropane;1-butyl-4-propan-2-ylbenzene;2-(difluoromethoxy)propane;1-ethyl-2-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoropropane;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;3-propan-2-yloxetane;3-propan-2-yloxyoxetane;1-propan-2-yl-4-propylbenzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene |
| SMILES | CC(C)Br.CC(C)C.CC(C)C1COC1.CC(C)F.CC(C)OC(F)F.CC(C)OC1COC1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1F.CCCCc1ccc(C(C)C)cc1.CCCc1ccc(C(C)C)cc1.CCc1ccc(C(C)C)cc1.CCc1ccccc1C(C)C.COc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C |
| InChI | InChI=1S/C15H16.2C13H14.C13H20.C12H18.2C11H16.3C10H11F3.C10H14O.2C10H14.3C9H11F.C6H12O2.C6H12O.C4H8F2O.C4H10.C3H7Br.C3H7F/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-4-5-11-6-8-12(9-7-11)10(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-5(2)8-6-3-7-4-6;1-5(2)6-3-7-4-6;1-3(2)7-4(5)6;1-4(2)3;2*1-3(2)4/h3-12H,1-2H3;2*3-10H,1-2H3;7-11H,4-6H2,1-3H3;6-10H,4-5H2,1-3H3;2*5-9H,4H2,1-3H3;3*3-7H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;4H,1-3H3;2*3H,1-2H3 |
| InChIKey | VWFRIGGPECNRFX-UHFFFAOYSA-N |
| XLogP | 65.00 |
| TPSA | 46.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 222 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3139.30 |
| LogP ≤ 5 | 65.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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