1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride

C113H136F118N10O11 — CID 159590184

IUPAC1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride
SMILESCC1CC(C(F)(F)F)CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)O1.CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.CN1CCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.F.F.F.F.F.F.F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCC1)C(F)(F)F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCCC1)C(F)(F)F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C15H17F14NO.C14H15F14NO2.C14H18F11NO.C13H17F11N2O.C13H16F11NO.C12H14F11NO2.C12H14F11NO.2C10H9F14NO.7FH/c1-7-2-8(13(21,22)23)4-30(3-7)10(17)11(18,15(27,28)29)5-31-6-12(19,20)9(16)14(24,25)26;1-6-2-29(3-7(31-6)12(20,21)22)9(16)10(17,14(26,27)28)4-30-5-11(18,19)8(15)13(23,24)25;1-8-2-4-26(5-3-8)10(16)11(17,14(23,24)25)6-27-7-12(18,19)9(15)13(20,21)22;1-25-2-4-26(5-3-25)9(15)10(16,13(22,23)24)6-27-7-11(17,18)8(14)12(19,20)21;14-8(12(19,20)21)11(17,18)7-26-6-10(16,13(22,23)24)9(15)25-4-2-1-3-5-25;13-7(11(18,19)20)10(16,17)6-26-5-9(15,12(21,22)23)8(14)24-1-3-25-4-2-24;13-7(11(18,19)20)10(16,17)6-25-5-9(15,12(21,22)23)8(14)24-3-1-2-4-24;2*1-25(10(22,23)24)5(12)6(13,9(19,20)21)2-26-3-7(14,15)4(11)8(16,17)18;;;;;;;/h7-10H,2-6H2,1H3;6-9H,2-5H2,1H3;8-10H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,1-7H2;7-8H,1-6H2;7-8H,1-6H2;2*4-5H,2-3H2,1H3;7*1H
InChIKeyMKDFCSDNFWNWKB-UHFFFAOYSA-N
MW4052.15 g/mol
LogP40.98
Rot. Bonds63

About 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride

1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride (PubChem CID 159590184) has the molecular formula C113H136F118N10O11 and a molecular weight of 4052.15 g/mol. Its IUPAC name is 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride.

Molecular Properties

Compound Name1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride
PubChem CID159590184
Molecular FormulaC113H136F118N10O11
Molecular Weight4052.15 g/mol
Exact Mass4050.85
IUPAC Name1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride
SMILESCC1CC(C(F)(F)F)CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)O1.CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.CN1CCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.F.F.F.F.F.F.F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCC1)C(F)(F)F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCCC1)C(F)(F)F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C15H17F14NO.C14H15F14NO2.C14H18F11NO.C13H17F11N2O.C13H16F11NO.C12H14F11NO2.C12H14F11NO.2C10H9F14NO.7FH/c1-7-2-8(13(21,22)23)4-30(3-7)10(17)11(18,15(27,28)29)5-31-6-12(19,20)9(16)14(24,25)26;1-6-2-29(3-7(31-6)12(20,21)22)9(16)10(17,14(26,27)28)4-30-5-11(18,19)8(15)13(23,24)25;1-8-2-4-26(5-3-8)10(16)11(17,14(23,24)25)6-27-7-12(18,19)9(15)13(20,21)22;1-25-2-4-26(5-3-25)9(15)10(16,13(22,23)24)6-27-7-11(17,18)8(14)12(19,20)21;14-8(12(19,20)21)11(17,18)7-26-6-10(16,13(22,23)24)9(15)25-4-2-1-3-5-25;13-7(11(18,19)20)10(16,17)6-26-5-9(15,12(21,22)23)8(14)24-1-3-25-4-2-24;13-7(11(18,19)20)10(16,17)6-25-5-9(15,12(21,22)23)8(14)24-3-1-2-4-24;2*1-25(10(22,23)24)5(12)6(13,9(19,20)21)2-26-3-7(14,15)4(11)8(16,17)18;;;;;;;/h7-10H,2-6H2,1H3;6-9H,2-5H2,1H3;8-10H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,1-7H2;7-8H,1-6H2;7-8H,1-6H2;2*4-5H,2-3H2,1H3;7*1H
InChIKeyMKDFCSDNFWNWKB-UHFFFAOYSA-N
XLogP40.98
TPSA133.93 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds63
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004052.15
LogP ≤ 540.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride?
The IUPAC name of 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride (CID 159590184) is 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride.
What is the SMILES notation for 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride?
The canonical SMILES for 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride is CC1CC(C(F)(F)F)CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)O1.CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.CN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.CN1CCN(C(F)C(F)(COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.F.F.F.F.F.F.F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCC1)C(F)(F)F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCCC1)C(F)(F)F.FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCOCC1)C(F)(F)F.
What is the InChIKey of 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride?
The InChIKey is MKDFCSDNFWNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F14NO.C14H15F14NO2.C14H18F11NO.C13H17F11N2O.C13H16F11NO.C12H14F11NO2.C12H14F11NO.2C10H9F14NO.7FH/c1-7-2-8(13(21,22)23)4-30(3-7)10(17)11(18,15(27,28)29)5-31-6-12(19,20)9(16)14(24,25)26;1-6-2-29(3-7(31-6)12(20,21)22)9(16)10(17,14(26,27)28)4-30-5-11(18,19)8(15)13(23,24)25;1-8-2-4-26(5-3-8)10(16)11(17,14(23,24)25)6-27-7-12(18,19)9(15)13(20,21)22;1-25-2-4-26(5-3-25)9(15)10(16,13(22,23)24)6-27-7-11(17,18)8(14)12(19,20)21;14-8(12(19,20)21)11(17,18)7-26-6-10(16,13(22,23)24)9(15)25-4-2-1-3-5-25;13-7(11(18,19)20)10(16,17)6-26-5-9(15,12(21,22)23)8(14)24-1-3-25-4-2-24;13-7(11(18,19)20)10(16,17)6-25-5-9(15,12(21,22)23)8(14)24-3-1-2-4-24;2*1-25(10(22,23)24)5(12)6(13,9(19,20)21)2-26-3-7(14,15)4(11)8(16,17)18;;;;;;;/h7-10H,2-6H2,1H3;6-9H,2-5H2,1H3;8-10H,2-7H2,1H3;8-9H,2-7H2,1H3;8-9H,1-7H2;7-8H,1-6H2;7-8H,1-6H2;2*4-5H,2-3H2,1H3;7*1H.
What are the key properties of 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride?
1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride has a molecular weight of 4052.15 g/mol, XLogP of 40.98, 63 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine;4-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;2-methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]morpholine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperidine;1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine;heptahydrofluoride is sourced from PubChem (CID 159590184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).