4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate

C109H106F80N8O56S8-8 — CID 160641657

IUPAC4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate
SMILESC=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC(C)(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(N)=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C15H17F10NO7S.2C14H15F10NO7S.C13H13F10NO7S.C12H11F10NO7S.C11H9F10NO7S/c1-7(13(18,19)20)8(27)33-12(14(21,22)23,9(28)26-10(2,3)4)32-6-5-11(16,17)15(24,25)34(29,30)31;1-7(2)6-26-10(28)12(14(21,22)23,33-9(27)8(3)13(18,19)20)32-5-4-11(16,17)15(24,25)34(29,30)31;1-3-4-6-26-10(28)12(14(21,22)23,33-9(27)8(2)13(18,19)20)32-7-5-11(16,17)15(24,25)34(29,30)31;1-6(2)25-9(27)11(13(20,21)22,32-8(26)7(3)12(17,18)19)31-5-4-10(15,16)14(23,24)33(28,29)30;1-3-5-25-9(27)11(13(20,21)22,32-8(26)7(2)12(17,18)19)31-6-4-10(15,16)14(23,24)33(28,29)30;1-3-24-8(26)10(12(19,20)21,31-7(25)6(2)11(16,17)18)30-5-4-9(14,15)13(22,23)32(27,28)29;1-5(10(15,16)17)6(24)30-9(7(25)23-2,11(18,19)20)29-4-3-8(13,14)12(21,22)31(26,27)28;1-4(9(14,15)16)5(23)29-8(6(22)24,10(17,18)19)28-3-2-7(12,13)11(20,21)30(25,26)27/h1,5-6H2,2-4H3,(H,26,28)(H,29,30,31);7H,3-6H2,1-2H3,(H,26,28)(H,29,30,31);2-7H2,1H3,(H,26,28)(H,29,30,31);6H,3-5H2,1-2H3,(H,25,27)(H,28,29,30);2-6H2,1H3,(H,25,27)(H,28,29,30);2-5H2,1H3,(H,24,26)(H,27,28,29);1,3-4H2,2H3,(H,23,25)(H,26,27,28);1-3H2,(H2,22,24)(H,25,26,27)/p-8
InChIKeyRJGGUGUBFFXENS-UHFFFAOYSA-F
MW4200.42 g/mol
LogP19.72
Rot. Bonds81

About 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate

4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate (PubChem CID 160641657) has the molecular formula C109H106F80N8O56S8-8 and a molecular weight of 4200.42 g/mol. Its IUPAC name is 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate.

Molecular Properties

Compound Name4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate
PubChem CID160641657
Molecular FormulaC109H106F80N8O56S8-8
Molecular Weight4200.42 g/mol
Exact Mass4198.22
IUPAC Name4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate
SMILESC=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC(C)(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(N)=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C15H17F10NO7S.2C14H15F10NO7S.C13H13F10NO7S.C12H11F10NO7S.C11H9F10NO7S/c1-7(13(18,19)20)8(27)33-12(14(21,22)23,9(28)26-10(2,3)4)32-6-5-11(16,17)15(24,25)34(29,30)31;1-7(2)6-26-10(28)12(14(21,22)23,33-9(27)8(3)13(18,19)20)32-5-4-11(16,17)15(24,25)34(29,30)31;1-3-4-6-26-10(28)12(14(21,22)23,33-9(27)8(2)13(18,19)20)32-7-5-11(16,17)15(24,25)34(29,30)31;1-6(2)25-9(27)11(13(20,21)22,32-8(26)7(3)12(17,18)19)31-5-4-10(15,16)14(23,24)33(28,29)30;1-3-5-25-9(27)11(13(20,21)22,32-8(26)7(2)12(17,18)19)31-6-4-10(15,16)14(23,24)33(28,29)30;1-3-24-8(26)10(12(19,20)21,31-7(25)6(2)11(16,17)18)30-5-4-9(14,15)13(22,23)32(27,28)29;1-5(10(15,16)17)6(24)30-9(7(25)23-2,11(18,19)20)29-4-3-8(13,14)12(21,22)31(26,27)28;1-4(9(14,15)16)5(23)29-8(6(22)24,10(17,18)19)28-3-2-7(12,13)11(20,21)30(25,26)27/h1,5-6H2,2-4H3,(H,26,28)(H,29,30,31);7H,3-6H2,1-2H3,(H,26,28)(H,29,30,31);2-7H2,1H3,(H,26,28)(H,29,30,31);6H,3-5H2,1-2H3,(H,25,27)(H,28,29,30);2-6H2,1H3,(H,25,27)(H,28,29,30);2-5H2,1H3,(H,24,26)(H,27,28,29);1,3-4H2,2H3,(H,23,25)(H,26,27,28);1-3H2,(H2,22,24)(H,25,26,27)/p-8
InChIKeyRJGGUGUBFFXENS-UHFFFAOYSA-F
XLogP19.72
TPSA988.63 Ų
H-Bond Donors8
H-Bond Acceptors56
Rotatable Bonds81
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004200.42
LogP ≤ 519.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1056

Analyze 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate?
The IUPAC name of 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate (CID 160641657) is 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate.
What is the SMILES notation for 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate?
The canonical SMILES for 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate is C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC(C)(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)NCCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(N)=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate?
The InChIKey is RJGGUGUBFFXENS-UHFFFAOYSA-F. The full InChI is InChI=1S/3C15H17F10NO7S.2C14H15F10NO7S.C13H13F10NO7S.C12H11F10NO7S.C11H9F10NO7S/c1-7(13(18,19)20)8(27)33-12(14(21,22)23,9(28)26-10(2,3)4)32-6-5-11(16,17)15(24,25)34(29,30)31;1-7(2)6-26-10(28)12(14(21,22)23,33-9(27)8(3)13(18,19)20)32-5-4-11(16,17)15(24,25)34(29,30)31;1-3-4-6-26-10(28)12(14(21,22)23,33-9(27)8(2)13(18,19)20)32-7-5-11(16,17)15(24,25)34(29,30)31;1-6(2)25-9(27)11(13(20,21)22,32-8(26)7(3)12(17,18)19)31-5-4-10(15,16)14(23,24)33(28,29)30;1-3-5-25-9(27)11(13(20,21)22,32-8(26)7(2)12(17,18)19)31-6-4-10(15,16)14(23,24)33(28,29)30;1-3-24-8(26)10(12(19,20)21,31-7(25)6(2)11(16,17)18)30-5-4-9(14,15)13(22,23)32(27,28)29;1-5(10(15,16)17)6(24)30-9(7(25)23-2,11(18,19)20)29-4-3-8(13,14)12(21,22)31(26,27)28;1-4(9(14,15)16)5(23)29-8(6(22)24,10(17,18)19)28-3-2-7(12,13)11(20,21)30(25,26)27/h1,5-6H2,2-4H3,(H,26,28)(H,29,30,31);7H,3-6H2,1-2H3,(H,26,28)(H,29,30,31);2-7H2,1H3,(H,26,28)(H,29,30,31);6H,3-5H2,1-2H3,(H,25,27)(H,28,29,30);2-6H2,1H3,(H,25,27)(H,28,29,30);2-5H2,1H3,(H,24,26)(H,27,28,29);1,3-4H2,2H3,(H,23,25)(H,26,27,28);1-3H2,(H2,22,24)(H,25,26,27)/p-8.
What are the key properties of 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate?
4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate has a molecular weight of 4200.42 g/mol, XLogP of 19.72, 81 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(tert-butylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;4-[3-(ethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(methylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-(2-methylpropylamino)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propan-2-ylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate;1,1,2,2-tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-(propylamino)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate is sourced from PubChem (CID 160641657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).