1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one

C82H99Cl4F7N4O8 — CID 158130580

About 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one

1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one (PubChem CID 158130580) has the molecular formula C82H99Cl4F7N4O8 and a molecular weight of 1543.51 g/mol. Its IUPAC name is 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
• PubChem CID: 158130580
• Molecular Formula: C82H99Cl4F7N4O8
• Molecular Weight: 1543.51 g/mol
• Exact Mass: 1540.61
• IUPAC Name: 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
• SMILES: CC1CC(CCC(=O)c2cc(CCO)n3cccc(Cl)c23)CC(F)(F)C1.COCCc1cc(C(=O)CCC2(O)CCCCCC2)c2c(Cl)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(C2CCOCC2)n2cccc(Cl)c12.O=C(CCC1CCC(F)(F)CC1)c1cc(CCF)n2cccc(Cl)c12
• InChI: InChI=1S/C22H26ClF2NO2.C21H28ClNO3.C20H24ClF2NO2.C19H21ClF3NO/c23-18-2-1-11-26-19(16-7-12-28-13-8-16)14-17(21(18)26)20(27)4-3-15-5-9-22(24,25)10-6-15;1-26-14-9-16-15-17(20-18(22)7-6-13-23(16)20)19(24)8-12-21(25)10-4-2-3-5-11-21;1-13-9-14(12-20(22,23)11-13)4-5-18(26)16-10-15(6-8-25)24-7-2-3-17(21)19(16)24;20-16-2-1-11-24-14(7-10-21)12-15(18(16)24)17(25)4-3-13-5-8-19(22,23)9-6-13/h1-2,11,14-16H,3-10,12-13H2;6-7,13,15,25H,2-5,8-12,14H2,1H3;2-3,7,10,13-14,25H,4-6,8-9,11-12H2,1H3;1-2,11-13H,3-10H2
• InChIKey: FSSMQFQTDJWRRH-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 144.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.51
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

The IUPAC name of 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one (CID 158130580) is 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one.

What is the SMILES notation for 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

The canonical SMILES for 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one is CC1CC(CCC(=O)c2cc(CCO)n3cccc(Cl)c23)CC(F)(F)C1.COCCc1cc(C(=O)CCC2(O)CCCCCC2)c2c(Cl)cccn12.O=C(CCC1CCC(F)(F)CC1)c1cc(C2CCOCC2)n2cccc(Cl)c12.O=C(CCC1CCC(F)(F)CC1)c1cc(CCF)n2cccc(Cl)c12.

What is the InChIKey of 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

The InChIKey is FSSMQFQTDJWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2NO2.C21H28ClNO3.C20H24ClF2NO2.C19H21ClF3NO/c23-18-2-1-11-26-19(16-7-12-28-13-8-16)14-17(21(18)26)20(27)4-3-15-5-9-22(24,25)10-6-15;1-26-14-9-16-15-17(20-18(22)7-6-13-23(16)20)19(24)8-12-21(25)10-4-2-3-5-11-21;1-13-9-14(12-20(22,23)11-13)4-5-18(26)16-10-15(6-8-25)24-7-2-3-17(21)19(16)24;20-16-2-1-11-24-14(7-10-21)12-15(18(16)24)17(25)4-3-13-5-8-19(22,23)9-6-13/h1-2,11,14-16H,3-10,12-13H2;6-7,13,15,25H,2-5,8-12,14H2,1H3;2-3,7,10,13-14,25H,4-6,8-9,11-12H2,1H3;1-2,11-13H,3-10H2.

What are the key properties of 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one?

1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one has a molecular weight of 1543.51 g/mol, XLogP of 22.16, 24 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-chloro-3-(2-fluoroethyl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluoro-5-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(1-hydroxycycloheptyl)propan-1-one;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one is sourced from PubChem (CID 158130580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).