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

C131H172F118N10O11 — CID 160642140

IUPACbis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride
SMILESCC(OC(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCN(C)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCOCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC1CC(C(F)(F)F)CN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)O1.F.F.F.F.F.F.F
InChIInChI=1S/C17H21F14NO.C16H19F14NO2.C16H22F11NO.C15H21F11N2O.C15H20F11NO.C14H18F11NO2.C14H18F11NO.2C12H13F14NO.7FH/c1-7-4-10(15(23,24)25)6-32(5-7)12(19)13(20,17(29,30)31)8(2)33-9(3)14(21,22)11(18)16(26,27)28;1-6-4-31(5-9(32-6)14(22,23)24)11(18)12(19,16(28,29)30)7(2)33-8(3)13(20,21)10(17)15(25,26)27;1-8-4-6-28(7-5-8)12(18)13(19,16(25,26)27)9(2)29-10(3)14(20,21)11(17)15(22,23)24;1-8(29-9(2)13(19,20)10(16)14(21,22)23)12(18,15(24,25)26)11(17)28-6-4-27(3)5-7-28;1-8(28-9(2)13(19,20)10(16)14(21,22)23)12(18,15(24,25)26)11(17)27-6-4-3-5-7-27;1-7(28-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-3-5-27-6-4-26;1-7(27-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-5-3-4-6-26;2*1-4(28-5(2)9(16,17)6(13)10(18,19)20)8(15,11(21,22)23)7(14)27(3)12(24,25)26;;;;;;;/h7-12H,4-6H2,1-3H3;6-11H,4-5H2,1-3H3;8-12H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3;8-11H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;2*4-7H,1-3H3;7*1H
InChIKeyRJHWSIQAVWJFLU-UHFFFAOYSA-N
MW4304.64 g/mol
LogP47.97
Rot. Bonds63

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

bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride (PubChem CID 160642140) has the molecular formula C131H172F118N10O11 and a molecular weight of 4304.64 g/mol. Its IUPAC name is bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride.

Molecular Properties

Compound Namebis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride
PubChem CID160642140
Molecular FormulaC131H172F118N10O11
Molecular Weight4304.64 g/mol
Exact Mass4303.13
IUPAC Namebis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride
SMILESCC(OC(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCN(C)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCOCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC1CC(C(F)(F)F)CN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)O1.F.F.F.F.F.F.F
InChIInChI=1S/C17H21F14NO.C16H19F14NO2.C16H22F11NO.C15H21F11N2O.C15H20F11NO.C14H18F11NO2.C14H18F11NO.2C12H13F14NO.7FH/c1-7-4-10(15(23,24)25)6-32(5-7)12(19)13(20,17(29,30)31)8(2)33-9(3)14(21,22)11(18)16(26,27)28;1-6-4-31(5-9(32-6)14(22,23)24)11(18)12(19,16(28,29)30)7(2)33-8(3)13(20,21)10(17)15(25,26)27;1-8-4-6-28(7-5-8)12(18)13(19,16(25,26)27)9(2)29-10(3)14(20,21)11(17)15(22,23)24;1-8(29-9(2)13(19,20)10(16)14(21,22)23)12(18,15(24,25)26)11(17)28-6-4-27(3)5-7-28;1-8(28-9(2)13(19,20)10(16)14(21,22)23)12(18,15(24,25)26)11(17)27-6-4-3-5-7-27;1-7(28-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-3-5-27-6-4-26;1-7(27-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-5-3-4-6-26;2*1-4(28-5(2)9(16,17)6(13)10(18,19)20)8(15,11(21,22)23)7(14)27(3)12(24,25)26;;;;;;;/h7-12H,4-6H2,1-3H3;6-11H,4-5H2,1-3H3;8-12H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3;8-11H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;2*4-7H,1-3H3;7*1H
InChIKeyRJHWSIQAVWJFLU-UHFFFAOYSA-N
XLogP47.97
TPSA133.93 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds63
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004304.64
LogP ≤ 547.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride?
The IUPAC name of bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride (CID 160642140) is bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride.
What is the SMILES notation for bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride?
The canonical SMILES for bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride is CC(OC(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCCCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCN(C)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC(OC(C)C(F)(C(F)N1CCOCC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.CC1CC(C(F)(F)F)CN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)C1.CC1CCN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC1.CC1CN(C(F)C(F)(C(C)OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)O1.F.F.F.F.F.F.F.
What is the InChIKey of bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride?
The InChIKey is RJHWSIQAVWJFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F14NO.C16H19F14NO2.C16H22F11NO.C15H21F11N2O.C15H20F11NO.C14H18F11NO2.C14H18F11NO.2C12H13F14NO.7FH/c1-7-4-10(15(23,24)25)6-32(5-7)12(19)13(20,17(29,30)31)8(2)33-9(3)14(21,22)11(18)16(26,27)28;1-6-4-31(5-9(32-6)14(22,23)24)11(18)12(19,16(28,29)30)7(2)33-8(3)13(20,21)10(17)15(25,26)27;1-8-4-6-28(7-5-8)12(18)13(19,16(25,26)27)9(2)29-10(3)14(20,21)11(17)15(22,23)24;1-8(29-9(2)13(19,20)10(16)14(21,22)23)12(18,15(24,25)26)11(17)28-6-4-27(3)5-7-28;1-8(28-9(2)13(19,20)10(16)14(21,22)23)12(18,15(24,25)26)11(17)27-6-4-3-5-7-27;1-7(28-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-3-5-27-6-4-26;1-7(27-8(2)12(18,19)9(15)13(20,21)22)11(17,14(23,24)25)10(16)26-5-3-4-6-26;2*1-4(28-5(2)9(16,17)6(13)10(18,19)20)8(15,11(21,22)23)7(14)27(3)12(24,25)26;;;;;;;/h7-12H,4-6H2,1-3H3;6-11H,4-5H2,1-3H3;8-12H,4-7H2,1-3H3;8-11H,4-7H2,1-3H3;8-11H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;2*4-7H,1-3H3;7*1H.
What are the key properties of bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride?
bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride has a molecular weight of 4304.64 g/mol, XLogP of 47.97, 63 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-N-methyl-N,2-bis(trifluoromethyl)butan-1-amine);1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperazine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-methylpiperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-2-methyl-6-(trifluoromethyl)morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-3-methyl-5-(trifluoromethyl)piperidine;4-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]piperidine;1-[1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine;heptahydrofluoride is sourced from PubChem (CID 160642140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).