1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one

C84H102Cl4F6N4O9 — CID 158368235

About 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one

1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one (PubChem CID 158368235) has the molecular formula C84H102Cl4F6N4O9 and a molecular weight of 1567.56 g/mol. Its IUPAC name is 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
• PubChem CID: 158368235
• Molecular Formula: C84H102Cl4F6N4O9
• Molecular Weight: 1567.56 g/mol
• Exact Mass: 1564.63
• IUPAC Name: 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
• SMILES: CC1CC(CCC(=O)c2cc(CCO)n3cccc(Cl)c23)CCC1(F)F.COCCc1cc(C(=O)CCC2(O)CCCC3(CC3)C2)c2c(Cl)cccn12.COCCc1cc(C(=O)CCC2CCCC(F)(F)C2)c2c(Cl)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(CC2CCOC2)n2cccc(Cl)c12
• InChI: InChI=1S/C22H26ClF2NO2.C22H28ClNO3.2C20H24ClF2NO2/c23-19-2-1-10-26-17(12-16-7-11-28-14-16)13-18(21(19)26)20(27)4-3-15-5-8-22(24,25)9-6-15;1-27-13-6-16-14-17(20-18(23)4-2-12-24(16)20)19(25)5-9-22(26)8-3-7-21(15-22)10-11-21;1-26-11-8-15-12-16(19-17(21)5-3-10-24(15)19)18(25)7-6-14-4-2-9-20(22,23)13-14;1-13-11-14(6-8-20(13,22)23)4-5-18(26)16-12-15(7-10-25)24-9-2-3-17(21)19(16)24/h1-2,10,13,15-16H,3-9,11-12,14H2;2,4,12,14,26H,3,5-11,13,15H2,1H3;3,5,10,12,14H,2,4,6-9,11,13H2,1H3;2-3,9,12-14,25H,4-8,10-11H2,1H3
• InChIKey: GUHFNASMNPWHGE-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 154.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1567.56
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

The IUPAC name of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one (CID 158368235) is 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one.

What is the SMILES notation for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

The canonical SMILES for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one is CC1CC(CCC(=O)c2cc(CCO)n3cccc(Cl)c23)CCC1(F)F.COCCc1cc(C(=O)CCC2(O)CCCC3(CC3)C2)c2c(Cl)cccn12.COCCc1cc(C(=O)CCC2CCCC(F)(F)C2)c2c(Cl)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(CC2CCOC2)n2cccc(Cl)c12.

What is the InChIKey of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

The InChIKey is GUHFNASMNPWHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2NO2.C22H28ClNO3.2C20H24ClF2NO2/c23-19-2-1-10-26-17(12-16-7-11-28-14-16)13-18(21(19)26)20(27)4-3-15-5-8-22(24,25)9-6-15;1-27-13-6-16-14-17(20-18(23)4-2-12-24(16)20)19(25)5-9-22(26)8-3-7-21(15-22)10-11-21;1-26-11-8-15-12-16(19-17(21)5-3-10-24(15)19)18(25)7-6-14-4-2-9-20(22,23)13-14;1-13-11-14(6-8-20(13,22)23)4-5-18(26)16-12-15(7-10-25)24-9-2-3-17(21)19(16)24/h1-2,10,13,15-16H,3-9,11-12,14H2;2,4,12,14,26H,3,5-11,13,15H2,1H3;3,5,10,12,14H,2,4,6-9,11,13H2,1H3;2-3,9,12-14,25H,4-8,10-11H2,1H3.

What are the key properties of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one has a molecular weight of 1567.56 g/mol, XLogP of 21.52, 26 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluoro-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(7-hydroxyspiro[2.5]octan-7-yl)propan-1-one;1-[8-chloro-3-(oxolan-3-ylmethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one is sourced from PubChem (CID 158368235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).