3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene

C183H251F13N10O19 — CID 162084366

About 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene

3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene (PubChem CID 162084366) has the molecular formula C183H251F13N10O19 and a molecular weight of 3142.05 g/mol. Its IUPAC name is 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene.

Molecular Properties

• Compound Name: 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene
• PubChem CID: 162084366
• Molecular Formula: C183H251F13N10O19
• Molecular Weight: 3142.05 g/mol
• Exact Mass: 3139.88
• IUPAC Name: 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene
• SMILES: CC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(C)(C)CC(=O)O.CC(C)(C)CCCOc1ccccc1.CC(C)(C)CCOc1ccccc1.CC(C)(C)Cc1ccc(C(=O)O)cc1.CC(C)(C)Cc1ccc2ccccc2n1.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.CCOC(=O)CC(C)(C)C.COc1ccccc1OCC(CC(C)(C)C)OC.COc1ccccc1OCCCC(C)(C)C.Cc1nc(-c2cccc(CC(C)(C)C)c2)no1.Cn1c(COC(F)(F)C(C)(C)C)nc2ccccc21.Cn1nc(COC(F)(F)C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C16H16F5NO.C16H19F2NO.C15H17F2NO.C15H24O3.2C14H18F2N2O.C14H18N2O.C14H17N.C14H22O2.C13H20O.C12H16O2.C12H18O.C8H16O2.C6H12O2/c1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-15(2,3)10-12(16-4)11-18-14-9-7-6-8-13(14)17-5;1-13(2,3)14(15,16)19-9-11-10-7-5-6-8-12(10)18(4)17-11;1-13(2,3)14(15,16)19-9-12-17-10-7-5-6-8-11(10)18(12)4;1-10-15-13(16-17-10)12-7-5-6-11(8-12)9-14(2,3)4;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;1-14(2,3)10-7-11-16-13-9-6-5-8-12(13)15-4;1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-12(2,3)8-9-4-6-10(7-5-9)11(13)14;1-12(2,3)9-10-13-11-7-5-4-6-8-11;1-5-10-7(9)6-8(2,3)4;1-6(2,3)4-5(7)8/h4-8H,9H2,1-3H3;5-11H,1-4H3;4-9H,10H2,1-3H3;6-9,12H,10-11H2,1-5H3;2*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;4-9H,10H2,1-3H3;5-6,8-9H,7,10-11H2,1-4H3;4-6,8-9H,7,10-11H2,1-3H3;4-7H,8H2,1-3H3,(H,13,14);4-8H,9-10H2,1-3H3;5-6H2,1-4H3;4H2,1-3H3,(H,7,8)
• InChIKey: ZCTMFAFOJADCTD-UHFFFAOYSA-N
• XLogP: 50.95
• TPSA: 337.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 41
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3142.05
LogP ≤ 5	50.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene?

The IUPAC name of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene (CID 162084366) is 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene.

What is the SMILES notation for 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene?

The canonical SMILES for 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene is CC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(C)(C)CC(=O)O.CC(C)(C)CCCOc1ccccc1.CC(C)(C)CCOc1ccccc1.CC(C)(C)Cc1ccc(C(=O)O)cc1.CC(C)(C)Cc1ccc2ccccc2n1.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.CCOC(=O)CC(C)(C)C.COc1ccccc1OCC(CC(C)(C)C)OC.COc1ccccc1OCCCC(C)(C)C.Cc1nc(-c2cccc(CC(C)(C)C)c2)no1.Cn1c(COC(F)(F)C(C)(C)C)nc2ccccc21.Cn1nc(COC(F)(F)C(C)(C)C)c2ccccc21.

What is the InChIKey of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene?

The InChIKey is ZCTMFAFOJADCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5NO.C16H19F2NO.C15H17F2NO.C15H24O3.2C14H18F2N2O.C14H18N2O.C14H17N.C14H22O2.C13H20O.C12H16O2.C12H18O.C8H16O2.C6H12O2/c1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-15(2,3)10-12(16-4)11-18-14-9-7-6-8-13(14)17-5;1-13(2,3)14(15,16)19-9-11-10-7-5-6-8-12(10)18(4)17-11;1-13(2,3)14(15,16)19-9-12-17-10-7-5-6-8-11(10)18(12)4;1-10-15-13(16-17-10)12-7-5-6-11(8-12)9-14(2,3)4;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;1-14(2,3)10-7-11-16-13-9-6-5-8-12(13)15-4;1-13(2,3)10-7-11-14-12-8-5-4-6-9-12;1-12(2,3)8-9-4-6-10(7-5-9)11(13)14;1-12(2,3)9-10-13-11-7-5-4-6-8-11;1-5-10-7(9)6-8(2,3)4;1-6(2,3)4-5(7)8/h4-8H,9H2,1-3H3;5-11H,1-4H3;4-9H,10H2,1-3H3;6-9,12H,10-11H2,1-5H3;2*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;4-9H,10H2,1-3H3;5-6,8-9H,7,10-11H2,1-4H3;4-6,8-9H,7,10-11H2,1-3H3;4-7H,8H2,1-3H3,(H,13,14);4-8H,9-10H2,1-3H3;5-6H2,1-4H3;4H2,1-3H3,(H,7,8).

What are the key properties of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene?

3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene has a molecular weight of 3142.05 g/mol, XLogP of 50.95, 41 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene is sourced from PubChem (CID 162084366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).