bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride

C116H172F86N10O10 — CID 157289829

About bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride

bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride (PubChem CID 157289829) has the molecular formula C116H172F86N10O10 and a molecular weight of 3500.54 g/mol. Its IUPAC name is bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride.

Molecular Properties

• Compound Name: bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride
• PubChem CID: 157289829
• Molecular Formula: C116H172F86N10O10
• Molecular Weight: 3500.54 g/mol
• Exact Mass: 3499.19
• IUPAC Name: bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride
• SMILES: CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCCCC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCCCCC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCN(C)CC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCN(C)CC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCOCC1.CC1CC(C(F)(F)F)CN(C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F)CC(C(F)(F)F)O1.F.F.F.F.F.F.F.F
• InChI: InChI=1S/C16H21F12NO.C15H19F12NO2.2C15H22F9NO.2C14H21F9N2O.C14H20F9NO.C13H18F9NO2.8FH/c1-7-4-10(15(23,24)25)6-29(5-7)12(18)14(21,22)9(3)30-8(2)13(19,20)11(17)16(26,27)28;1-6-4-28(5-9(29-6)14(22,23)24)11(17)13(20,21)8(3)30-7(2)12(18,19)10(16)15(25,26)27;1-8-4-6-25(7-5-8)12(17)14(20,21)10(3)26-9(2)13(18,19)11(16)15(22,23)24;1-9(13(18,19)11(16)15(22,23)24)26-10(2)14(20,21)12(17)25-7-5-3-4-6-8-25;2*1-8(12(17,18)10(15)14(21,22)23)26-9(2)13(19,20)11(16)25-6-4-24(3)5-7-25;1-8(12(17,18)10(15)14(21,22)23)25-9(2)13(19,20)11(16)24-6-4-3-5-7-24;1-7(11(16,17)9(14)13(20,21)22)25-8(2)12(18,19)10(15)23-3-5-24-6-4-23;;;;;;;;/h7-12H,4-6H2,1-3H3;6-11H,4-5H2,1-3H3;8-12H,4-7H2,1-3H3;9-12H,3-8H2,1-2H3;2*8-11H,4-7H2,1-3H3;8-11H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;8*1H
• InChIKey: BARBBJUOUOLADG-UHFFFAOYSA-N
• XLogP: 37.29
• TPSA: 124.70 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 56
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3500.54
LogP ≤ 5	37.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride?

The IUPAC name of bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride (CID 157289829) is bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride.

What is the SMILES notation for bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride?

The canonical SMILES for bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride is CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCCCC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCCCCC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCN(C)CC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCN(C)CC1.CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N1CCOCC1.CC1CC(C(F)(F)F)CN(C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(F)C(C)OC(C)C(F)(F)C(F)C(F)(F)F)CC(C(F)(F)F)O1.F.F.F.F.F.F.F.F.

What is the InChIKey of bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride?

The InChIKey is BARBBJUOUOLADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F12NO.C15H19F12NO2.2C15H22F9NO.2C14H21F9N2O.C14H20F9NO.C13H18F9NO2.8FH/c1-7-4-10(15(23,24)25)6-29(5-7)12(18)14(21,22)9(3)30-8(2)13(19,20)11(17)16(26,27)28;1-6-4-28(5-9(29-6)14(22,23)24)11(17)13(20,21)8(3)30-7(2)12(18,19)10(16)15(25,26)27;1-8-4-6-25(7-5-8)12(17)14(20,21)10(3)26-9(2)13(18,19)11(16)15(22,23)24;1-9(13(18,19)11(16)15(22,23)24)26-10(2)14(20,21)12(17)25-7-5-3-4-6-8-25;2*1-8(12(17,18)10(15)14(21,22)23)26-9(2)13(19,20)11(16)25-6-4-24(3)5-7-25;1-8(12(17,18)10(15)14(21,22)23)25-9(2)13(19,20)11(16)24-6-4-3-5-7-24;1-7(11(16,17)9(14)13(20,21)22)25-8(2)12(18,19)10(15)23-3-5-24-6-4-23;;;;;;;;/h7-12H,4-6H2,1-3H3;6-11H,4-5H2,1-3H3;8-12H,4-7H2,1-3H3;9-12H,3-8H2,1-2H3;2*8-11H,4-7H2,1-3H3;8-11H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;8*1H.

What are the key properties of bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride?

bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride has a molecular weight of 3500.54 g/mol, XLogP of 37.29, 56 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperazine);4-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-5-(trifluoromethyl)piperidine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]azepane;4-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]morpholine;1-[1,2,2-trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]piperidine;octahydrofluoride is sourced from PubChem (CID 157289829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).