2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol

C136H136F135N11O30 — CID 161282006

IUPAC2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol
SMILESCCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)CN(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.OCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C47H62F27N7O11.C31H34F27N3O7.C23H20F27NO5.C18H11F27O3.C17H9F27O4/c1-9-75(10-2)28(82)17-79(18-29(83)76(11-3)12-4)32(86)21-81(22-33(87)80(19-30(84)77(13-5)14-6)20-31(85)78(15-7)16-8)34(88)23-89-24-35(25-90-36(39(48,49)50,40(51,52)53)41(54,55)56,26-91-37(42(57,58)59,43(60,61)62)44(63,64)65)27-92-38(45(66,67)68,46(69,70)71)47(72,73)74;1-5-59(6-2)16(62)9-61(10-17(63)60(7-3)8-4)18(64)11-65-12-19(13-66-20(23(32,33)34,24(35,36)37)25(38,39)40,14-67-21(26(41,42)43,27(44,45)46)28(47,48)49)15-68-22(29(50,51)52,30(53,54)55)31(56,57)58;1-3-51(4-2)10(52)5-53-6-11(7-54-12(15(24,25)26,16(27,28)29)17(30,31)32,8-55-13(18(33,34)35,19(36,37)38)20(39,40)41)9-56-14(21(42,43)44,22(45,46)47)23(48,49)50;1-2-6(3-46-7(10(19,20)21,11(22,23)24)12(25,26)27,4-47-8(13(28,29)30,14(31,32)33)15(34,35)36)5-48-9(16(37,38)39,17(40,41)42)18(43,44)45;18-9(19,20)6(10(21,22)23,11(24,25)26)46-2-5(1-45,3-47-7(12(27,28)29,13(30,31)32)14(33,34)35)4-48-8(15(36,37)38,16(39,40)41)17(42,43)44/h9-27H2,1-8H3;5-15H2,1-4H3;3-9H2,1-2H3;2-5H2,1H3;45H,1-4H2
InChIKeyVFFHAKSIWWWNRQ-UHFFFAOYSA-N
MW4969.36 g/mol
LogP44.34
Rot. Bonds89

About 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol

2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol (PubChem CID 161282006) has the molecular formula C136H136F135N11O30 and a molecular weight of 4969.36 g/mol. Its IUPAC name is 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol.

Molecular Properties

Compound Name2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol
PubChem CID161282006
Molecular FormulaC136H136F135N11O30
Molecular Weight4969.36 g/mol
Exact Mass4967.73
IUPAC Name2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol
SMILESCCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)CN(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.OCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C47H62F27N7O11.C31H34F27N3O7.C23H20F27NO5.C18H11F27O3.C17H9F27O4/c1-9-75(10-2)28(82)17-79(18-29(83)76(11-3)12-4)32(86)21-81(22-33(87)80(19-30(84)77(13-5)14-6)20-31(85)78(15-7)16-8)34(88)23-89-24-35(25-90-36(39(48,49)50,40(51,52)53)41(54,55)56,26-91-37(42(57,58)59,43(60,61)62)44(63,64)65)27-92-38(45(66,67)68,46(69,70)71)47(72,73)74;1-5-59(6-2)16(62)9-61(10-17(63)60(7-3)8-4)18(64)11-65-12-19(13-66-20(23(32,33)34,24(35,36)37)25(38,39)40,14-67-21(26(41,42)43,27(44,45)46)28(47,48)49)15-68-22(29(50,51)52,30(53,54)55)31(56,57)58;1-3-51(4-2)10(52)5-53-6-11(7-54-12(15(24,25)26,16(27,28)29)17(30,31)32,8-55-13(18(33,34)35,19(36,37)38)20(39,40)41)9-56-14(21(42,43)44,22(45,46)47)23(48,49)50;1-2-6(3-46-7(10(19,20)21,11(22,23)24)12(25,26)27,4-47-8(13(28,29)30,14(31,32)33)15(34,35)36)5-48-9(16(37,38)39,17(40,41)42)18(43,44)45;18-9(19,20)6(10(21,22)23,11(24,25)26)46-2-5(1-45,3-47-7(12(27,28)29,13(30,31)32)14(33,34)35)4-48-8(15(36,37)38,16(39,40)41)17(42,43)44/h9-27H2,1-8H3;5-15H2,1-4H3;3-9H2,1-2H3;2-5H2,1H3;45H,1-4H2
InChIKeyVFFHAKSIWWWNRQ-UHFFFAOYSA-N
XLogP44.34
TPSA409.78 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds89
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004969.36
LogP ≤ 544.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol with MolForge

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Related Compounds

tert-butyl 2-[[2-[[2-[[2-[bis[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 45278143
2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[4-methyl-2-(2-methylpropyl)-2-propylpentoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 91251167
methyl 2-[[2-[[2-[[2-[bis[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 58275050
methyl 2-[[2-[[2-[bis(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 58275065
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
tert-butyl 2-[[2-[[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 58275061
2-[carboxymethyl-[2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetyl]amino]acetic acid
CID 58275074
2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
CID 175057771
tert-butyl 3-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]propanoate
CID 71619040
2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 65173475
2,2-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
2-ethyl-2-(methoxymethoxymethyl)propane-1,3-diol
CID 15066032

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol?
The IUPAC name of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol (CID 161282006) is 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol.
What is the SMILES notation for 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol?
The canonical SMILES for 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol is CCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)CN(CC(=O)N(CC(=O)N(CC)CC)CC(=O)N(CC)CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)CN(CC(=O)N(CC)CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CCN(CC)C(=O)COCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.OCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol?
The InChIKey is VFFHAKSIWWWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H62F27N7O11.C31H34F27N3O7.C23H20F27NO5.C18H11F27O3.C17H9F27O4/c1-9-75(10-2)28(82)17-79(18-29(83)76(11-3)12-4)32(86)21-81(22-33(87)80(19-30(84)77(13-5)14-6)20-31(85)78(15-7)16-8)34(88)23-89-24-35(25-90-36(39(48,49)50,40(51,52)53)41(54,55)56,26-91-37(42(57,58)59,43(60,61)62)44(63,64)65)27-92-38(45(66,67)68,46(69,70)71)47(72,73)74;1-5-59(6-2)16(62)9-61(10-17(63)60(7-3)8-4)18(64)11-65-12-19(13-66-20(23(32,33)34,24(35,36)37)25(38,39)40,14-67-21(26(41,42)43,27(44,45)46)28(47,48)49)15-68-22(29(50,51)52,30(53,54)55)31(56,57)58;1-3-51(4-2)10(52)5-53-6-11(7-54-12(15(24,25)26,16(27,28)29)17(30,31)32,8-55-13(18(33,34)35,19(36,37)38)20(39,40)41)9-56-14(21(42,43)44,22(45,46)47)23(48,49)50;1-2-6(3-46-7(10(19,20)21,11(22,23)24)12(25,26)27,4-47-8(13(28,29)30,14(31,32)33)15(34,35)36)5-48-9(16(37,38)39,17(40,41)42)18(43,44)45;18-9(19,20)6(10(21,22)23,11(24,25)26)46-2-5(1-45,3-47-7(12(27,28)29,13(30,31)32)14(33,34)35)4-48-8(15(36,37)38,16(39,40)41)17(42,43)44/h9-27H2,1-8H3;5-15H2,1-4H3;3-9H2,1-2H3;2-5H2,1H3;45H,1-4H2.
What are the key properties of 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol?
2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol has a molecular weight of 4969.36 g/mol, XLogP of 44.34, 89 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[bis[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]acetyl]-[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide;2-[[2-(diethylamino)-2-oxoethyl]-[2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetyl]amino]-N,N-diethylacetamide;N,N-diethyl-2-[3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propoxy]acetamide;1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butane;3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2,2-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]propan-1-ol is sourced from PubChem (CID 161282006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).