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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride

C138H191F96N11O11 — CID 158314482

IUPACbis(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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride
SMILESCC1CC(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.F.F.FC(N1CCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCCCCC1)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
InChIInChI=1S/C17H21F12NO.C16H19F12NO2.2C16H22F9NO.2C15H21F9N2O.C15H20F9NO.C14H18F9NO2.C14H18F9NO.9FH/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;17-12(16(23,24)25)14(19,20)10-6-5-7-11(27-10)15(21,22)13(18)26-8-3-1-2-4-9-26;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;15-10(14(21,22)23)12(17,18)8-4-3-5-9(25-8)13(19,20)11(16)24-6-1-2-7-24;;;;;;;;;/h8-13H,2-7H2,1H3;7-12H,2-6H2,1H3;9-13H,2-8H2,1H3;10-13H,1-9H2;2*9-12H,2-8H2,1H3;9-12H,1-8H2;8-11H,1-7H2;8-11H,1-7H2;9*1H
InChIKeyGOCBBEPBLSCDRB-UHFFFAOYSA-N
MW4003.92 g/mol
LogP43.08
Rot. Bonds45

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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride

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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride (PubChem CID 158314482) has the molecular formula C138H191F96N11O11 and a molecular weight of 4003.92 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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride.

Molecular Properties

Compound Namebis(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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride
PubChem CID158314482
Molecular FormulaC138H191F96N11O11
Molecular Weight4003.92 g/mol
Exact Mass4002.32
IUPAC Namebis(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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride
SMILESCC1CC(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.F.F.FC(N1CCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCCCCC1)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
InChIInChI=1S/C17H21F12NO.C16H19F12NO2.2C16H22F9NO.2C15H21F9N2O.C15H20F9NO.C14H18F9NO2.C14H18F9NO.9FH/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;17-12(16(23,24)25)14(19,20)10-6-5-7-11(27-10)15(21,22)13(18)26-8-3-1-2-4-9-26;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;15-10(14(21,22)23)12(17,18)8-4-3-5-9(25-8)13(19,20)11(16)24-6-1-2-7-24;;;;;;;;;/h8-13H,2-7H2,1H3;7-12H,2-6H2,1H3;9-13H,2-8H2,1H3;10-13H,1-9H2;2*9-12H,2-8H2,1H3;9-12H,1-8H2;8-11H,1-7H2;8-11H,1-7H2;9*1H
InChIKeyGOCBBEPBLSCDRB-UHFFFAOYSA-N
XLogP43.08
TPSA137.17 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds45
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004003.92
LogP ≤ 543.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride with MolForge

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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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride?
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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride (CID 158314482) 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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride.
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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride?
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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride 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.F.F.FC(N1CCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCCCC1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.FC(N1CCCCCC1)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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride?
The InChIKey is GOCBBEPBLSCDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F12NO.C16H19F12NO2.2C16H22F9NO.2C15H21F9N2O.C15H20F9NO.C14H18F9NO2.C14H18F9NO.9FH/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;17-12(16(23,24)25)14(19,20)10-6-5-7-11(27-10)15(21,22)13(18)26-8-3-1-2-4-9-26;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;15-10(14(21,22)23)12(17,18)8-4-3-5-9(25-8)13(19,20)11(16)24-6-1-2-7-24;;;;;;;;;/h8-13H,2-7H2,1H3;7-12H,2-6H2,1H3;9-13H,2-8H2,1H3;10-13H,1-9H2;2*9-12H,2-8H2,1H3;9-12H,1-8H2;8-11H,1-7H2;8-11H,1-7H2;9*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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride?
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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride has a molecular weight of 4003.92 g/mol, XLogP of 43.08, 45 rotatable bonds, 0 hydrogen bond donors, and 22 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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]azepane;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;1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine;nonahydrofluoride is sourced from PubChem (CID 158314482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).