tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol

C133H186ClF11N14O9 — CID 158489979

About tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol

tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (PubChem CID 158489979) has the molecular formula C133H186ClF11N14O9 and a molecular weight of 2369.47 g/mol. Its IUPAC name is tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.

Molecular Properties

• Compound Name: tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
• PubChem CID: 158489979
• Molecular Formula: C133H186ClF11N14O9
• Molecular Weight: 2369.47 g/mol
• Exact Mass: 2367.40
• IUPAC Name: tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol
• SMILES: CC(C)C1CC(OCc2ccccc2)CN1.CC(C)C1CC(Oc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CCC(c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)C1CCCN1C(=O)C1CCCC1.CC(C)c1ccccc1.CC(C)n1nc(C(F)(F)Cl)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(F)(F)Oc2ccccc2)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1C2.CC(C)n1nc2c(c1C(F)F)CC1CC21
• InChI: InChI=1S/C18H27NO3.C18H27NO2.C17H20F2N2O.C14H21NO.C13H23NO.C11H15ClF2N2.C11H13F3N2O.2C11H14F2N2.C9H12/c1-13(2)16-11-15(21-14-9-7-6-8-10-14)12-19(16)17(20)22-18(3,4)5;1-13(2)15-11-12-16(14-9-7-6-8-10-14)19(15)17(20)21-18(3,4)5;1-12(2)21-15-11-7-6-10-14(15)16(20-21)17(18,19)22-13-8-4-3-5-9-13;1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12;1-10(2)12-8-5-9-14(12)13(15)11-6-3-4-7-11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-4(2)16-8-7(5-3-6(5)9(8)17)10(15-16)11(12,13)14;1-5(2)15-10-7-3-6(7)4-8(10)9(14-15)11(12)13;1-5(2)15-10(11(12)13)8-4-6-3-7(6)9(8)14-15;1-8(2)9-6-4-3-5-7-9/h6-10,13,15-16H,11-12H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;3-7,11,13-15H,8-10H2,1-2H3;10-12H,3-9H2,1-2H3;7H,3-6H2,1-2H3;4-6,9,17H,3H2,1-2H3;2*5-7,11H,3-4H2,1-2H3;3-8H,1-2H3
• InChIKey: HIOQCUBWTLWQCU-UHFFFAOYSA-N
• XLogP: 33.96
• TPSA: 228.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2369.47
LogP ≤ 5	33.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?

The IUPAC name of tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol (CID 158489979) is tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol.

What is the SMILES notation for tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?

The canonical SMILES for tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is CC(C)C1CC(OCc2ccccc2)CN1.CC(C)C1CC(Oc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)C1CCC(c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)C1CCCN1C(=O)C1CCCC1.CC(C)c1ccccc1.CC(C)n1nc(C(F)(F)Cl)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(F)(F)Oc2ccccc2)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1C2.CC(C)n1nc2c(c1C(F)F)CC1CC21.

What is the InChIKey of tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?

The InChIKey is HIOQCUBWTLWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3.C18H27NO2.C17H20F2N2O.C14H21NO.C13H23NO.C11H15ClF2N2.C11H13F3N2O.2C11H14F2N2.C9H12/c1-13(2)16-11-15(21-14-9-7-6-8-10-14)12-19(16)17(20)22-18(3,4)5;1-13(2)15-11-12-16(14-9-7-6-8-10-14)19(15)17(20)21-18(3,4)5;1-12(2)21-15-11-7-6-10-14(15)16(20-21)17(18,19)22-13-8-4-3-5-9-13;1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12;1-10(2)12-8-5-9-14(12)13(15)11-6-3-4-7-11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-4(2)16-8-7(5-3-6(5)9(8)17)10(15-16)11(12,13)14;1-5(2)15-10-7-3-6(7)4-8(10)9(14-15)11(12)13;1-5(2)15-10(11(12)13)8-4-6-3-7(6)9(8)14-15;1-8(2)9-6-4-3-5-7-9/h6-10,13,15-16H,11-12H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;3-7,11,13-15H,8-10H2,1-2H3;10-12H,3-9H2,1-2H3;7H,3-6H2,1-2H3;4-6,9,17H,3H2,1-2H3;2*5-7,11H,3-4H2,1-2H3;3-8H,1-2H3.

What are the key properties of tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol?

tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol has a molecular weight of 2369.47 g/mol, XLogP of 33.96, 23 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;cumene;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;7-(difluoromethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;4-phenylmethoxy-2-propan-2-ylpyrrolidine;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol is sourced from PubChem (CID 158489979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).