1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride

C147H209F114N11O20 — CID 158956581

About 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride

1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride (PubChem CID 158956581) has the molecular formula C147H209F114N11O20 and a molecular weight of 4616.12 g/mol. Its IUPAC name is 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride.

Molecular Properties

• Compound Name: 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride
• PubChem CID: 158956581
• Molecular Formula: C147H209F114N11O20
• Molecular Weight: 4616.12 g/mol
• Exact Mass: 4614.39
• IUPAC Name: 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride
• SMILES: CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC1CC(C(F)(F)F)CN(C(F)C(F)(C2COCCO2)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC(C(F)(F)F)O1.CN1CCN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC1.CN1CCN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC1.F.F.F.F.F.F.F.F.F.FC(N1CCCC1)C(F)(C1COCCO1)C(F)(F)F.FC(N1CCCCC1)C(F)(C1COCCO1)C(F)(F)F.FC(N1CCCCCC1)C(F)(C1COCCO1)C(F)(F)F.FC(N1CCOCC1)C(F)(C1COCCO1)C(F)(F)F
• InChI: InChI=1S/C14H19F8NO2.C13H17F8NO3.2C13H20F5NO2.2C12H19F5N2O2.C12H18F5NO2.C11H16F5NO3.C11H16F5NO2.9C4H4F6.9FH/c1-8-4-9(13(17,18)19)6-23(5-8)11(15)12(16,14(20,21)22)10-7-24-2-3-25-10;1-7-4-22(5-8(25-7)12(16,17)18)10(14)11(15,13(19,20)21)9-6-23-2-3-24-9;1-9-2-4-19(5-3-9)11(14)12(15,13(16,17)18)10-8-20-6-7-21-10;14-11(19-5-3-1-2-4-6-19)12(15,13(16,17)18)10-9-20-7-8-21-10;2*1-18-2-4-19(5-3-18)10(13)11(14,12(15,16)17)9-8-20-6-7-21-9;13-10(18-4-2-1-3-5-18)11(14,12(15,16)17)9-8-19-6-7-20-9;12-9(17-1-3-18-4-2-17)10(13,11(14,15)16)8-7-19-5-6-20-8;12-9(17-3-1-2-4-17)10(13,11(14,15)16)8-7-18-5-6-19-8;9*1-3(6,7)2(5)4(8,9)10;;;;;;;;;/h8-11H,2-7H2,1H3;7-10H,2-6H2,1H3;9-11H,2-8H2,1H3;10-11H,1-9H2;2*9-10H,2-8H2,1H3;9-10H,1-8H2;8-9H,1-7H2;8-9H,1-7H2;9*2H,1H3;9*1H
• InChIKey: JMBRTEMCSVRYSF-UHFFFAOYSA-N
• XLogP: 44.15
• TPSA: 220.24 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 292
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4616.12
LogP ≤ 5	44.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride?

The IUPAC name of 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride (CID 158956581) is 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride.

What is the SMILES notation for 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride?

The canonical SMILES for 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride is CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC(F)(F)C(F)C(F)(F)F.CC1CC(C(F)(F)F)CN(C(F)C(F)(C2COCCO2)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC(C(F)(F)F)O1.CN1CCN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC1.CN1CCN(C(F)C(F)(C2COCCO2)C(F)(F)F)CC1.F.F.F.F.F.F.F.F.F.FC(N1CCCC1)C(F)(C1COCCO1)C(F)(F)F.FC(N1CCCCC1)C(F)(C1COCCO1)C(F)(F)F.FC(N1CCCCCC1)C(F)(C1COCCO1)C(F)(F)F.FC(N1CCOCC1)C(F)(C1COCCO1)C(F)(F)F.

What is the InChIKey of 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride?

The InChIKey is JMBRTEMCSVRYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F8NO2.C13H17F8NO3.2C13H20F5NO2.2C12H19F5N2O2.C12H18F5NO2.C11H16F5NO3.C11H16F5NO2.9C4H4F6.9FH/c1-8-4-9(13(17,18)19)6-23(5-8)11(15)12(16,14(20,21)22)10-7-24-2-3-25-10;1-7-4-22(5-8(25-7)12(16,17)18)10(14)11(15,13(19,20)21)9-6-23-2-3-24-9;1-9-2-4-19(5-3-9)11(14)12(15,13(16,17)18)10-8-20-6-7-21-10;14-11(19-5-3-1-2-4-6-19)12(15,13(16,17)18)10-9-20-7-8-21-10;2*1-18-2-4-19(5-3-18)10(13)11(14,12(15,16)17)9-8-20-6-7-21-9;13-10(18-4-2-1-3-5-18)11(14,12(15,16)17)9-8-19-6-7-20-9;12-9(17-1-3-18-4-2-17)10(13,11(14,15)16)8-7-19-5-6-20-8;12-9(17-3-1-2-4-17)10(13,11(14,15)16)8-7-18-5-6-19-8;9*1-3(6,7)2(5)4(8,9)10;;;;;;;;;/h8-11H,2-7H2,1H3;7-10H,2-6H2,1H3;9-11H,2-8H2,1H3;10-11H,1-9H2;2*9-10H,2-8H2,1H3;9-10H,1-8H2;8-9H,1-7H2;8-9H,1-7H2;9*2H,1H3;9*1H.

What are the key properties of 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride?

1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride has a molecular weight of 4616.12 g/mol, XLogP of 44.15, 36 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]azepane;bis(1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperazine);1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-4-methylpiperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]morpholine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]piperidine;1-[2-(1,4-dioxan-2-yl)-1,2,3,3,3-pentafluoropropyl]pyrrolidine;nonakis(1,1,1,2,3,3-hexafluorobutane);nonahydrofluoride is sourced from PubChem (CID 158956581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).