carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C52H65Cl2F8N9O8 — CID 162197864

About carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate

carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 162197864) has the molecular formula C52H65Cl2F8N9O8 and a molecular weight of 1167.04 g/mol. Its IUPAC name is carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

• Compound Name: carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
• PubChem CID: 162197864
• Molecular Formula: C52H65Cl2F8N9O8
• Molecular Weight: 1167.04 g/mol
• Exact Mass: 1165.42
• IUPAC Name: carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
• SMILES: CCN(CC)CC.Cc1ncccc1Oc1ncnc(OC2CC3CCC(C2)N3)c1C.Cc1ncccc1Oc1ncnc(OC2CC3CCC(C2)N3C(=O)OC2CC(F)(F)C2(F)F)c1C.O=C(Cl)Cl.OC1CC(F)(F)C1(F)F
• InChI: InChI=1S/C23H24F4N4O4.C18H22N4O2.C6H15N.C4H4F4O.CCl2O/c1-12-19(29-11-30-20(12)34-17-4-3-7-28-13(17)2)33-16-8-14-5-6-15(9-16)31(14)21(32)35-18-10-22(24,25)23(18,26)27;1-11-17(23-15-8-13-5-6-14(9-15)22-13)20-10-21-18(11)24-16-4-3-7-19-12(16)2;1-4-7(5-2)6-3;5-3(6)1-2(9)4(3,7)8;2-1(3)4/h3-4,7,11,14-16,18H,5-6,8-10H2,1-2H3;3-4,7,10,13-15,22H,5-6,8-9H2,1-2H3;4-6H2,1-3H3;2,9H,1H2
• InChIKey: ZRENXIZHGANGHW-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 196.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.04
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

The IUPAC name of carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 162197864) is carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

What is the SMILES notation for carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

The canonical SMILES for carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CCN(CC)CC.Cc1ncccc1Oc1ncnc(OC2CC3CCC(C2)N3)c1C.Cc1ncccc1Oc1ncnc(OC2CC3CCC(C2)N3C(=O)OC2CC(F)(F)C2(F)F)c1C.O=C(Cl)Cl.OC1CC(F)(F)C1(F)F.

What is the InChIKey of carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

The InChIKey is ZRENXIZHGANGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O4.C18H22N4O2.C6H15N.C4H4F4O.CCl2O/c1-12-19(29-11-30-20(12)34-17-4-3-7-28-13(17)2)33-16-8-14-5-6-15(9-16)31(14)21(32)35-18-10-22(24,25)23(18,26)27;1-11-17(23-15-8-13-5-6-14(9-15)22-13)20-10-21-18(11)24-16-4-3-7-19-12(16)2;1-4-7(5-2)6-3;5-3(6)1-2(9)4(3,7)8;2-1(3)4/h3-4,7,11,14-16,18H,5-6,8-10H2,1-2H3;3-4,7,10,13-15,22H,5-6,8-9H2,1-2H3;4-6H2,1-3H3;2,9H,1H2;.

What are the key properties of carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?

carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 1167.04 g/mol, XLogP of 11.73, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for carbonyl dichloride;N,N-diethylethanamine;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;2,2,3,3-tetrafluorocyclobutan-1-ol;(2,2,3,3-tetrafluorocyclobutyl) 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 162197864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).