1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one

C84H102Cl4F6N4O9 — CID 157479499

About 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one

1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one (PubChem CID 157479499) has the molecular formula C84H102Cl4F6N4O9 and a molecular weight of 1567.56 g/mol. Its IUPAC name is 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one.

Molecular Properties

• Compound Name: 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one
• PubChem CID: 157479499
• Molecular Formula: C84H102Cl4F6N4O9
• Molecular Weight: 1567.56 g/mol
• Exact Mass: 1564.63
• IUPAC Name: 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one
• SMILES: CCOCCc1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12.COCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(Cl)cccn12.O=C(CCC1(O)CCCC(F)(F)C1)c1cc(C2CCC2)n2cccc(Cl)c12.O=C(CCC1CCCC(F)(F)C1)c1cc(C2CCCO2)n2cccc(Cl)c12
• InChI: InChI=1S/2C21H24ClF2NO2.C21H26ClF2NO2.C21H28ClNO3/c22-16-5-2-10-25-17(19-6-3-11-27-19)12-15(20(16)25)18(26)8-7-14-4-1-9-21(23,24)13-14;22-16-6-2-11-25-17(14-4-1-5-14)12-15(19(16)25)18(26)7-10-20(27)8-3-9-21(23,24)13-20;1-2-27-13-9-16-14-17(20-18(22)4-3-12-25(16)20)19(26)6-5-15-7-10-21(23,24)11-8-15;1-15-5-3-9-21(25,14-15)10-7-19(24)17-13-16(8-12-26-2)23-11-4-6-18(22)20(17)23/h2,5,10,12,14,19H,1,3-4,6-9,11,13H2;2,6,11-12,14,27H,1,3-5,7-10,13H2;3-4,12,14-15H,2,5-11,13H2,1H3;4,6,11,13,15,25H,3,5,7-10,12,14H2,1-2H3/t;;;15-,21+/m...1/s1
• InChIKey: BVZOVUIWUSJVLE-WTPKLJHOSA-N
• XLogP: 22.64
• TPSA: 154.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1567.56
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?

The IUPAC name of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one (CID 157479499) is 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one.

What is the SMILES notation for 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?

The canonical SMILES for 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one is CCOCCc1cc(C(=O)CCC2CCC(F)(F)CC2)c2c(Cl)cccn12.COCCc1cc(C(=O)CC[C@@]2(O)CCC[C@@H](C)C2)c2c(Cl)cccn12.O=C(CCC1(O)CCCC(F)(F)C1)c1cc(C2CCC2)n2cccc(Cl)c12.O=C(CCC1CCCC(F)(F)C1)c1cc(C2CCCO2)n2cccc(Cl)c12.

What is the InChIKey of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?

The InChIKey is BVZOVUIWUSJVLE-WTPKLJHOSA-N. The full InChI is InChI=1S/2C21H24ClF2NO2.C21H26ClF2NO2.C21H28ClNO3/c22-16-5-2-10-25-17(19-6-3-11-27-19)12-15(20(16)25)18(26)8-7-14-4-1-9-21(23,24)13-14;22-16-6-2-11-25-17(14-4-1-5-14)12-15(19(16)25)18(26)7-10-20(27)8-3-9-21(23,24)13-20;1-2-27-13-9-16-14-17(20-18(22)4-3-12-25(16)20)19(26)6-5-15-7-10-21(23,24)11-8-15;1-15-5-3-9-21(25,14-15)10-7-19(24)17-13-16(8-12-26-2)23-11-4-6-18(22)20(17)23/h2,5,10,12,14,19H,1,3-4,6-9,11,13H2;2,6,11-12,14,27H,1,3-5,7-10,13H2;3-4,12,14-15H,2,5-11,13H2,1H3;4,6,11,13,15,25H,3,5,7-10,12,14H2,1-2H3/t;;;15-,21+/m...1/s1.

What are the key properties of 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?

1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one has a molecular weight of 1567.56 g/mol, XLogP of 22.64, 25 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-chloro-3-cyclobutylindolizin-1-yl)-3-(3,3-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-(2-ethoxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one is sourced from PubChem (CID 157479499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).