bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride

C108H149F76N9O9 — CID 159022294

About bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride

bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride (PubChem CID 159022294) has the molecular formula C108H149F76N9O9 and a molecular weight of 3161.28 g/mol. Its IUPAC name is bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride.

Molecular Properties

• Compound Name: bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride
• PubChem CID: 159022294
• Molecular Formula: C108H149F76N9O9
• Molecular Weight: 3161.28 g/mol
• Exact Mass: 3160.03
• IUPAC Name: bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride
• SMILES: CC1CC(C(F)(F)F)CN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C1.CC1CCN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC1.CC1CN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC(C(F)(F)F)O1.CN1CCN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC1.CN1CCN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC1.F.F.F.F.F.F.F.FC(N1CCCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCOCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
• InChI: InChI=1S/C17H21F12NO.C16H19F12NO2.C16H22F9NO.2C15H21F9N2O.C15H20F9NO.C14H18F9NO2.7FH/c1-8-5-9(16(24,25)26)7-30(6-8)13(19)15(22,23)11-4-2-3-10(31-11)14(20,21)12(18)17(27,28)29;1-7-5-29(6-10(30-7)15(23,24)25)12(18)14(21,22)9-4-2-3-8(31-9)13(19,20)11(17)16(26,27)28;1-9-5-7-26(8-6-9)13(18)15(21,22)11-4-2-3-10(27-11)14(19,20)12(17)16(23,24)25;2*1-25-5-7-26(8-6-25)12(17)14(20,21)10-4-2-3-9(27-10)13(18,19)11(16)15(22,23)24;16-11(15(22,23)24)13(18,19)9-5-4-6-10(26-9)14(20,21)12(17)25-7-2-1-3-8-25;15-10(14(21,22)23)12(17,18)8-2-1-3-9(26-8)13(19,20)11(16)24-4-6-25-7-5-24;;;;;;;/h8-13H,2-7H2,1H3;7-12H,2-6H2,1H3;9-13H,2-8H2,1H3;2*9-12H,2-8H2,1H3;9-12H,1-8H2;8-11H,1-7H2;7*1H
• InChIKey: JTVSXDLYWGLBJG-UHFFFAOYSA-N
• XLogP: 33.02
• TPSA: 112.23 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3161.28
LogP ≤ 5	33.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride?

The IUPAC name of bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride (CID 159022294) is bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride.

What is the SMILES notation for bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride?

The canonical SMILES for bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride is CC1CC(C(F)(F)F)CN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C1.CC1CCN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC1.CC1CN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC(C(F)(F)F)O1.CN1CCN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC1.CN1CCN(C(F)C(F)(F)C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)CC1.F.F.F.F.F.F.F.FC(N1CCCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCOCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.

What is the InChIKey of bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride?

The InChIKey is JTVSXDLYWGLBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F12NO.C16H19F12NO2.C16H22F9NO.2C15H21F9N2O.C15H20F9NO.C14H18F9NO2.7FH/c1-8-5-9(16(24,25)26)7-30(6-8)13(19)15(22,23)11-4-2-3-10(31-11)14(20,21)12(18)17(27,28)29;1-7-5-29(6-10(30-7)15(23,24)25)12(18)14(21,22)9-4-2-3-8(31-9)13(19,20)11(17)16(26,27)28;1-9-5-7-26(8-6-9)13(18)15(21,22)11-4-2-3-10(27-11)14(19,20)12(17)16(23,24)25;2*1-25-5-7-26(8-6-25)12(17)14(20,21)10-4-2-3-9(27-10)13(18,19)11(16)15(22,23)24;16-11(15(22,23)24)13(18,19)9-5-4-6-10(26-9)14(20,21)12(17)25-7-2-1-3-8-25;15-10(14(21,22)23)12(17,18)8-2-1-3-9(26-8)13(19,20)11(16)24-4-6-25-7-5-24;;;;;;;/h8-13H,2-7H2,1H3;7-12H,2-6H2,1H3;9-13H,2-8H2,1H3;2*9-12H,2-8H2,1H3;9-12H,1-8H2;8-11H,1-7H2;7*1H.

What are the key properties of bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride?

bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride has a molecular weight of 3161.28 g/mol, XLogP of 33.02, 35 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperazine);4-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;2-methyl-4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-5-(trifluoromethyl)piperidine;4-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]morpholine;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]piperidine;heptahydrofluoride is sourced from PubChem (CID 159022294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).