1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride

C113H163F91N10O11 — CID 161179985

About 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride

1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride (PubChem CID 161179985) has the molecular formula C113H163F91N10O11 and a molecular weight of 3566.42 g/mol. Its IUPAC name is 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride.

Molecular Properties

• Compound Name: 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride
• PubChem CID: 161179985
• Molecular Formula: C113H163F91N10O11
• Molecular Weight: 3566.42 g/mol
• Exact Mass: 3565.10
• IUPAC Name: 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride
• SMILES: CC(N(C)C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N(C)C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCN(C)CC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCOCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC1CC(C(F)(F)F)CN(C(C)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C1.CC1CCN(C(C)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC1.CC1CN(C(C)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC(C(F)(F)F)O1.F.F.F.F.F.F.F
• InChI: InChI=1S/C15H20F11NO.C14H18F11NO2.C14H21F8NO.C13H20F8N2O.C13H19F8NO.C12H17F8NO2.C12H17F8NO.2C10H12F11NO.7FH/c1-8-3-10(14(21,22)23)5-27(4-8)9(2)12(17,18)6-28-7-13(19,20)11(16)15(24,25)26;1-7-3-26(4-9(28-7)13(20,21)22)8(2)11(16,17)5-27-6-12(18,19)10(15)14(23,24)25;1-9-3-5-23(6-4-9)10(2)12(16,17)7-24-8-13(18,19)11(15)14(20,21)22;1-9(23-5-3-22(2)4-6-23)11(15,16)7-24-8-12(17,18)10(14)13(19,20)21;1-9(22-5-3-2-4-6-22)11(15,16)7-23-8-12(17,18)10(14)13(19,20)21;1-8(21-2-4-22-5-3-21)10(14,15)6-23-7-11(16,17)9(13)12(18,19)20;1-8(21-4-2-3-5-21)10(14,15)6-22-7-11(16,17)9(13)12(18,19)20;2*1-5(22(2)10(19,20)21)7(12,13)3-23-4-8(14,15)6(11)9(16,17)18;;;;;;;/h8-11H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9-10H,2-8H2,1H3;8-9H,2-7H2,1H3;8-9H,2-7H2,1H3;2*5-6H,3-4H2,1-2H3;7*1H
• InChIKey: USHXGOUPNZHWSR-UHFFFAOYSA-N
• XLogP: 36.10
• 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	3566.42
LogP ≤ 5	36.10
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-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride?

The IUPAC name of 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride (CID 161179985) is 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride.

What is the SMILES notation for 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride?

The canonical SMILES for 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride is CC(N(C)C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N(C)C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCCCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCN(C)CC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC(N1CCOCC1)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.CC1CC(C(F)(F)F)CN(C(C)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)C1.CC1CCN(C(C)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC1.CC1CN(C(C)C(F)(F)COCC(F)(F)C(F)C(F)(F)F)CC(C(F)(F)F)O1.F.F.F.F.F.F.F.

What is the InChIKey of 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride?

The InChIKey is USHXGOUPNZHWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F11NO.C14H18F11NO2.C14H21F8NO.C13H20F8N2O.C13H19F8NO.C12H17F8NO2.C12H17F8NO.2C10H12F11NO.7FH/c1-8-3-10(14(21,22)23)5-27(4-8)9(2)12(17,18)6-28-7-13(19,20)11(16)15(24,25)26;1-7-3-26(4-9(28-7)13(20,21)22)8(2)11(16,17)5-27-6-12(18,19)10(15)14(23,24)25;1-9-3-5-23(6-4-9)10(2)12(16,17)7-24-8-13(18,19)11(15)14(20,21)22;1-9(23-5-3-22(2)4-6-23)11(15,16)7-24-8-12(17,18)10(14)13(19,20)21;1-9(22-5-3-2-4-6-22)11(15,16)7-23-8-12(17,18)10(14)13(19,20)21;1-8(21-2-4-22-5-3-21)10(14,15)6-23-7-11(16,17)9(13)12(18,19)20;1-8(21-4-2-3-5-21)10(14,15)6-22-7-11(16,17)9(13)12(18,19)20;2*1-5(22(2)10(19,20)21)7(12,13)3-23-4-8(14,15)6(11)9(16,17)18;;;;;;;/h8-11H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;9-10H,2-8H2,1H3;8-9H,2-7H2,1H3;8-9H,2-7H2,1H3;2*5-6H,3-4H2,1-2H3;7*1H.

What are the key properties of 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride?

1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride has a molecular weight of 3566.42 g/mol, XLogP of 36.10, 63 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperazine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-4-methylpiperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-2-methyl-6-(trifluoromethyl)morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-3-methyl-5-(trifluoromethyl)piperidine;4-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]morpholine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]piperidine;1-[3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine;bis(3,3-difluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-methyl-N-(trifluoromethyl)butan-2-amine);heptahydrofluoride is sourced from PubChem (CID 161179985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).