bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride

C147H191F114N11O11 — CID 159141752

IUPACbis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride
SMILESCC1CC(C(F)(F)F)CN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC(C(F)(F)F)O1.CN1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.CN1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.F.F.F.F.F.F.F.F.F.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1
InChIInChI=1S/C18H21F14NO.C17H19F14NO2.2C17H22F11NO.2C16H21F11N2O.C16H20F11NO.C15H18F11NO2.C15H18F11NO.9FH/c1-8-5-9(16(24,25)26)7-33(6-8)13(20)14(21,18(30,31)32)10-3-2-4-11(34-10)15(22,23)12(19)17(27,28)29;1-7-5-32(6-10(33-7)15(23,24)25)12(19)13(20,17(29,30)31)8-3-2-4-9(34-8)14(21,22)11(18)16(26,27)28;1-9-5-7-29(8-6-9)13(19)14(20,17(26,27)28)10-3-2-4-11(30-10)15(21,22)12(18)16(23,24)25;18-12(16(23,24)25)15(21,22)11-7-5-6-10(30-11)14(20,17(26,27)28)13(19)29-8-3-1-2-4-9-29;2*1-28-5-7-29(8-6-28)12(18)13(19,16(25,26)27)9-3-2-4-10(30-9)14(20,21)11(17)15(22,23)24;17-11(15(22,23)24)14(20,21)10-6-4-5-9(29-10)13(19,16(25,26)27)12(18)28-7-2-1-3-8-28;16-10(14(21,22)23)13(19,20)9-3-1-2-8(29-9)12(18,15(24,25)26)11(17)27-4-6-28-7-5-27;16-10(14(21,22)23)13(19,20)9-5-3-4-8(28-9)12(18,15(24,25)26)11(17)27-6-1-2-7-27;;;;;;;;;/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
InChIKeyKIECXRCMOMOHPI-UHFFFAOYSA-N
MW4453.98 g/mol
LogP48.79
Rot. Bonds45

About bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride

bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride (PubChem CID 159141752) has the molecular formula C147H191F114N11O11 and a molecular weight of 4453.98 g/mol. Its IUPAC name is bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride.

Molecular Properties

Compound Namebis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride
PubChem CID159141752
Molecular FormulaC147H191F114N11O11
Molecular Weight4453.98 g/mol
Exact Mass4452.29
IUPAC Namebis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride
SMILESCC1CC(C(F)(F)F)CN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC(C(F)(F)F)O1.CN1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.CN1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.F.F.F.F.F.F.F.F.F.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1
InChIInChI=1S/C18H21F14NO.C17H19F14NO2.2C17H22F11NO.2C16H21F11N2O.C16H20F11NO.C15H18F11NO2.C15H18F11NO.9FH/c1-8-5-9(16(24,25)26)7-33(6-8)13(20)14(21,18(30,31)32)10-3-2-4-11(34-10)15(22,23)12(19)17(27,28)29;1-7-5-32(6-10(33-7)15(23,24)25)12(19)13(20,17(29,30)31)8-3-2-4-9(34-8)14(21,22)11(18)16(26,27)28;1-9-5-7-29(8-6-9)13(19)14(20,17(26,27)28)10-3-2-4-11(30-10)15(21,22)12(18)16(23,24)25;18-12(16(23,24)25)15(21,22)11-7-5-6-10(30-11)14(20,17(26,27)28)13(19)29-8-3-1-2-4-9-29;2*1-28-5-7-29(8-6-28)12(18)13(19,16(25,26)27)9-3-2-4-10(30-9)14(20,21)11(17)15(22,23)24;17-11(15(22,23)24)14(20,21)10-6-4-5-9(29-10)13(19,16(25,26)27)12(18)28-7-2-1-3-8-28;16-10(14(21,22)23)13(19,20)9-3-1-2-8(29-9)12(18,15(24,25)26)11(17)27-4-6-28-7-5-27;16-10(14(21,22)23)13(19,20)9-5-3-4-8(28-9)12(18,15(24,25)26)11(17)27-6-1-2-7-27;;;;;;;;;/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
InChIKeyKIECXRCMOMOHPI-UHFFFAOYSA-N
XLogP48.79
TPSA137.17 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds45
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004453.98
LogP ≤ 548.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride?
The IUPAC name of bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride (CID 159141752) is bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride.
What is the SMILES notation for bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride?
The canonical SMILES for bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride is CC1CC(C(F)(F)F)CN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC(C(F)(F)F)O1.CN1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.CN1CCN(C(F)C(F)(C2CCCC(C(F)(F)C(F)C(F)(F)F)O2)C(F)(F)F)CC1.F.F.F.F.F.F.F.F.F.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCCCCC2)C(F)(F)F)O1.FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCOCC2)C(F)(F)F)O1.
What is the InChIKey of bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride?
The InChIKey is KIECXRCMOMOHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F14NO.C17H19F14NO2.2C17H22F11NO.2C16H21F11N2O.C16H20F11NO.C15H18F11NO2.C15H18F11NO.9FH/c1-8-5-9(16(24,25)26)7-33(6-8)13(20)14(21,18(30,31)32)10-3-2-4-11(34-10)15(22,23)12(19)17(27,28)29;1-7-5-32(6-10(33-7)15(23,24)25)12(19)13(20,17(29,30)31)8-3-2-4-9(34-8)14(21,22)11(18)16(26,27)28;1-9-5-7-29(8-6-9)13(19)14(20,17(26,27)28)10-3-2-4-11(30-10)15(21,22)12(18)16(23,24)25;18-12(16(23,24)25)15(21,22)11-7-5-6-10(30-11)14(20,17(26,27)28)13(19)29-8-3-1-2-4-9-29;2*1-28-5-7-29(8-6-28)12(18)13(19,16(25,26)27)9-3-2-4-10(30-9)14(20,21)11(17)15(22,23)24;17-11(15(22,23)24)14(20,21)10-6-4-5-9(29-10)13(19,16(25,26)27)12(18)28-7-2-1-3-8-28;16-10(14(21,22)23)13(19,20)9-3-1-2-8(29-9)12(18,15(24,25)26)11(17)27-4-6-28-7-5-27;16-10(14(21,22)23)13(19,20)9-5-3-4-8(28-9)12(18,15(24,25)26)11(17)27-6-1-2-7-27;;;;;;;;;/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-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride?
bis(1-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride has a molecular weight of 4453.98 g/mol, XLogP of 48.79, 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-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperazine);4-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-5-(trifluoromethyl)piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]azepane;4-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]pyrrolidine;nonahydrofluoride is sourced from PubChem (CID 159141752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).