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

C104H136F100N10O11 — CID 158136255

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

1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride (PubChem CID 158136255) has the molecular formula C104H136F100N10O11 and a molecular weight of 3602.09 g/mol. Its IUPAC name is 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride.

Molecular Properties

• Compound Name: 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride
• PubChem CID: 158136255
• Molecular Formula: C104H136F100N10O11
• Molecular Weight: 3602.09 g/mol
• Exact Mass: 3600.88
• IUPAC Name: 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride
• SMILES: CC1CC(C(F)(F)F)CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC(C(F)(F)F)O1.CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F.CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F.CN1CCN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC1.F.F.F.F.F.F.F.FC(N1CCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.FC(N1CCCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.FC(N1CCOCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
• InChI: InChI=1S/C14H17F12NO.C13H15F12NO2.C13H18F9NO.C12H17F9N2O.C12H16F9NO.C11H14F9NO2.C11H14F9NO.2C9H9F12NO.7FH/c1-7-2-8(13(21,22)23)4-27(3-7)10(16)12(19,20)6-28-5-11(17,18)9(15)14(24,25)26;1-6-2-26(3-7(28-6)12(20,21)22)9(15)11(18,19)5-27-4-10(16,17)8(14)13(23,24)25;1-8-2-4-23(5-3-8)10(15)12(18,19)7-24-6-11(16,17)9(14)13(20,21)22;1-22-2-4-23(5-3-22)9(14)11(17,18)7-24-6-10(15,16)8(13)12(19,20)21;13-8(12(19,20)21)10(15,16)6-23-7-11(17,18)9(14)22-4-2-1-3-5-22;12-7(11(18,19)20)9(14,15)5-23-6-10(16,17)8(13)21-1-3-22-4-2-21;12-7(11(18,19)20)9(14,15)5-22-6-10(16,17)8(13)21-3-1-2-4-21;2*1-22(9(19,20)21)5(11)7(14,15)3-23-2-6(12,13)4(10)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
• InChIKey: FTJQFTPOVAMJPH-UHFFFAOYSA-N
• XLogP: 35.26
• TPSA: 133.93 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 63
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3602.09
LogP ≤ 5	35.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride?

The IUPAC name of 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride (CID 158136255) is 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride.

What is the SMILES notation for 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride?

The canonical SMILES for 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride is CC1CC(C(F)(F)F)CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC(C(F)(F)F)O1.CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F.CN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C(F)(F)F.CN1CCN(C(F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC1.F.F.F.F.F.F.F.FC(N1CCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.FC(N1CCCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.FC(N1CCOCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.

What is the InChIKey of 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride?

The InChIKey is FTJQFTPOVAMJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F12NO.C13H15F12NO2.C13H18F9NO.C12H17F9N2O.C12H16F9NO.C11H14F9NO2.C11H14F9NO.2C9H9F12NO.7FH/c1-7-2-8(13(21,22)23)4-27(3-7)10(16)12(19,20)6-28-5-11(17,18)9(15)14(24,25)26;1-6-2-26(3-7(28-6)12(20,21)22)9(15)11(18,19)5-27-4-10(16,17)8(14)13(23,24)25;1-8-2-4-23(5-3-8)10(15)12(18,19)7-24-6-11(16,17)9(14)13(20,21)22;1-22-2-4-23(5-3-22)9(14)11(17,18)7-24-6-10(15,16)8(13)12(19,20)21;13-8(12(19,20)21)10(15,16)6-23-7-11(17,18)9(14)22-4-2-1-3-5-22;12-7(11(18,19)20)9(14,15)5-23-6-10(16,17)8(13)21-1-3-22-4-2-21;12-7(11(18,19)20)9(14,15)5-22-6-10(16,17)8(13)21-3-1-2-4-21;2*1-22(9(19,20)21)5(11)7(14,15)3-23-2-6(12,13)4(10)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-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride?

1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride has a molecular weight of 3602.09 g/mol, XLogP of 35.26, 63 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine;4-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;2-methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-6-(trifluoromethyl)morpholine;3-methyl-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-5-(trifluoromethyl)piperidine;bis(1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine);4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]morpholine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperidine;1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine;heptahydrofluoride is sourced from PubChem (CID 158136255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).