5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine

C145H183F8N9O12S2 — CID 160681105

About 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine

5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine (PubChem CID 160681105) has the molecular formula C145H183F8N9O12S2 and a molecular weight of 2460.23 g/mol. Its IUPAC name is 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine.

Molecular Properties

• Compound Name: 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine
• PubChem CID: 160681105
• Molecular Formula: C145H183F8N9O12S2
• Molecular Weight: 2460.23 g/mol
• Exact Mass: 2458.33
• IUPAC Name: 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine
• SMILES: CC(C)(C)OC1CN(CC(F)(F)F)C(=O)c2ccccc21.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2ccc(F)cc23)cc1.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2ccccc23)s1.CC(C)(C)Oc1nnc(C(F)(F)F)c2ccccc12.CC1CC2(CCN(Cc3ccc(COC(C)(C)C)s3)CC2)c2ccccc21
• InChI: InChI=1S/C24H30FNO2.C24H31NO2.C24H33NOS.C23H29FN2O2.C22H29NO2S.C15H18F3NO2.C13H13F3N2O/c1-23(2,3)27-16-19-6-4-18(5-7-19)15-26-12-10-24(11-13-26)22-14-21(25)9-8-20(22)17-28-24;1-23(2,3)26-17-20-10-8-19(9-11-20)16-25-14-12-24(13-15-25)22-7-5-4-6-21(22)18-27-24;1-18-15-24(22-8-6-5-7-21(18)22)11-13-25(14-12-24)16-19-9-10-20(27-19)17-26-23(2,3)4;1-22(2,3)27-15-18-6-4-17(5-7-18)14-26-10-8-23(9-11-26)20-13-25-21(24)12-19(20)16-28-23;1-21(2,3)24-16-19-9-8-18(26-19)14-23-12-10-22(11-13-23)20-7-5-4-6-17(20)15-25-22;1-14(2,3)21-12-8-19(9-15(16,17)18)13(20)11-7-5-4-6-10(11)12;1-12(2,3)19-11-9-7-5-4-6-8(9)10(17-18-11)13(14,15)16/h4-9,14H,10-13,15-17H2,1-3H3;4-11H,12-18H2,1-3H3;5-10,18H,11-17H2,1-4H3;4-7,12-13H,8-11,14-16H2,1-3H3;4-9H,10-16H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,1-3H3
• InChIKey: RODQLPGGCXOKNS-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 176.71 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2460.23
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine?

The IUPAC name of 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine (CID 160681105) is 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine.

What is the SMILES notation for 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine?

The canonical SMILES for 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine is CC(C)(C)OC1CN(CC(F)(F)F)C(=O)c2ccccc21.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cc1.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2ccc(F)cc23)cc1.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1.CC(C)(C)OCc1ccc(CN2CCC3(CC2)OCc2ccccc23)s1.CC(C)(C)Oc1nnc(C(F)(F)F)c2ccccc12.CC1CC2(CCN(Cc3ccc(COC(C)(C)C)s3)CC2)c2ccccc21.

What is the InChIKey of 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine?

The InChIKey is RODQLPGGCXOKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO2.C24H31NO2.C24H33NOS.C23H29FN2O2.C22H29NO2S.C15H18F3NO2.C13H13F3N2O/c1-23(2,3)27-16-19-6-4-18(5-7-19)15-26-12-10-24(11-13-26)22-14-21(25)9-8-20(22)17-28-24;1-23(2,3)26-17-20-10-8-19(9-11-20)16-25-14-12-24(13-15-25)22-7-5-4-6-21(22)18-27-24;1-18-15-24(22-8-6-5-7-21(18)22)11-13-25(14-12-24)16-19-9-10-20(27-19)17-26-23(2,3)4;1-22(2,3)27-15-18-6-4-17(5-7-18)14-26-10-8-23(9-11-26)20-13-25-21(24)12-19(20)16-28-23;1-21(2,3)24-16-19-9-8-18(26-19)14-23-12-10-22(11-13-23)20-7-5-4-6-17(20)15-25-22;1-14(2,3)21-12-8-19(9-15(16,17)18)13(20)11-7-5-4-6-10(11)12;1-12(2,3)19-11-9-7-5-4-6-8(9)10(17-18-11)13(14,15)16/h4-9,14H,10-13,15-17H2,1-3H3;4-11H,12-18H2,1-3H3;5-10,18H,11-17H2,1-4H3;4-7,12-13H,8-11,14-16H2,1-3H3;4-9H,10-16H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7H,1-3H3.

What are the key properties of 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine?

5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine has a molecular weight of 2460.23 g/mol, XLogP of 33.32, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];6-fluoro-1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine];1-methyl-1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine];1'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];1'-[[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine];4-[(2-methylpropan-2-yl)oxy]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one;1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)phthalazine is sourced from PubChem (CID 160681105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).