1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one

C105H122Cl4F13N5O14 — CID 159696521

About 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one

1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one (PubChem CID 159696521) has the molecular formula C105H122Cl4F13N5O14 and a molecular weight of 2066.94 g/mol. Its IUPAC name is 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one
• PubChem CID: 159696521
• Molecular Formula: C105H122Cl4F13N5O14
• Molecular Weight: 2066.94 g/mol
• Exact Mass: 2063.75
• IUPAC Name: 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one
• SMILES: COCCc1cc(C(=O)CCC2(O)CCC(F)(F)CC2)c2c(C(F)(F)F)cccn12.O=C(CCC1(O)CCC(F)(F)CC1)c1cc(C2CCCO2)n2cccc(Cl)c12.O=C(CCC1(O)CCC(F)(F)CC1)c1cc(C[C@@H]2CCOC2)n2cccc(Cl)c12.O=C(CCC1(O)CCC(F)(F)CC1)c1cc(C[C@H]2CCOC2)n2cccc(Cl)c12.O=C(CCC1CCC(F)(F)CC1)c1cc(CCO)n2cccc(Cl)c12
• InChI: InChI=1S/2C22H26ClF2NO3.C21H24ClF2NO3.C21H24F5NO3.C19H22ClF2NO2/c2*23-18-2-1-10-26-16(12-15-4-11-29-14-15)13-17(20(18)26)19(27)3-5-21(28)6-8-22(24,25)9-7-21;22-15-3-1-11-25-16(18-4-2-12-28-18)13-14(19(15)25)17(26)5-6-20(27)7-9-21(23,24)10-8-20;1-30-12-5-14-13-15(18-16(21(24,25)26)3-2-11-27(14)18)17(28)4-6-19(29)7-9-20(22,23)10-8-19;20-16-2-1-10-23-14(7-11-24)12-15(18(16)23)17(25)4-3-13-5-8-19(21,22)9-6-13/h2*1-2,10,13,15,28H,3-9,11-12,14H2;1,3,11,13,18,27H,2,4-10,12H2;2-3,11,13,29H,4-10,12H2,1H3;1-2,10,12-13,24H,3-9,11H2/t2*15-;;;/m10.../s1
• InChIKey: MXBRDHMJAFKCEL-LEHZRZNWSA-N
• XLogP: 25.46
• TPSA: 245.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.94
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one (CID 159696521) is 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one.

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

The canonical SMILES for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one is COCCc1cc(C(=O)CCC2(O)CCC(F)(F)CC2)c2c(C(F)(F)F)cccn12.O=C(CCC1(O)CCC(F)(F)CC1)c1cc(C2CCCO2)n2cccc(Cl)c12.O=C(CCC1(O)CCC(F)(F)CC1)c1cc(C[C@@H]2CCOC2)n2cccc(Cl)c12.O=C(CCC1(O)CCC(F)(F)CC1)c1cc(C[C@H]2CCOC2)n2cccc(Cl)c12.O=C(CCC1CCC(F)(F)CC1)c1cc(CCO)n2cccc(Cl)c12.

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

The InChIKey is MXBRDHMJAFKCEL-LEHZRZNWSA-N. The full InChI is InChI=1S/2C22H26ClF2NO3.C21H24ClF2NO3.C21H24F5NO3.C19H22ClF2NO2/c2*23-18-2-1-10-26-16(12-15-4-11-29-14-15)13-17(20(18)26)19(27)3-5-21(28)6-8-22(24,25)9-7-21;22-15-3-1-11-25-16(18-4-2-12-28-18)13-14(19(15)25)17(26)5-6-20(27)7-9-21(23,24)10-8-20;1-30-12-5-14-13-15(18-16(21(24,25)26)3-2-11-27(14)18)17(28)4-6-19(29)7-9-20(22,23)10-8-19;20-16-2-1-10-23-14(7-11-24)12-15(18(16)23)17(25)4-3-13-5-8-19(21,22)9-6-13/h2*1-2,10,13,15,28H,3-9,11-12,14H2;1,3,11,13,18,27H,2,4-10,12H2;2-3,11,13,29H,4-10,12H2,1H3;1-2,10,12-13,24H,3-9,11H2/t2*15-;;;/m10.../s1.

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

1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one has a molecular weight of 2066.94 g/mol, XLogP of 25.46, 30 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-2-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3S)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;1-[8-chloro-3-[[(3R)-oxolan-3-yl]methyl]indolizin-1-yl]-3-(4,4-difluoro-1-hydroxycyclohexyl)propan-1-one;3-(4,4-difluoro-1-hydroxycyclohexyl)-1-[3-(2-methoxyethyl)-8-(trifluoromethyl)indolizin-1-yl]propan-1-one is sourced from PubChem (CID 159696521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).