6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate

C120H154F56N7O49S7-7 — CID 158384250

IUPAC6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate
SMILESC=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(C(C)C)C(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)C(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)CC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CCC)CCC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CCCC)CCCC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H29F8NO7S.2C18H25F8NO7S.C17H21F8NO7S.C17H23F8NO7S.C16H21F8NO7S.C14H17F8NO7S/c1-4-6-11-29(12-7-5-2)16(31)18(19(24,25)26,36-15(30)14(3)21)35-13-9-8-10-17(22,23)20(27,28)37(32,33)34;1-10(2)27(11(3)4)14(29)16(17(22,23)24,34-13(28)12(5)19)33-9-7-6-8-15(20,21)18(25,26)35(30,31)32;1-4-9-27(10-5-2)14(29)16(17(22,23)24,34-13(28)12(3)19)33-11-7-6-8-15(20,21)18(25,26)35(30,31)32;1-11(18)12(27)33-15(16(21,22)23,13(28)26-8-4-2-5-9-26)32-10-6-3-7-14(19,20)17(24,25)34(29,30)31;1-5-26(10(2)3)13(28)15(16(21,22)23,33-12(27)11(4)18)32-9-7-6-8-14(19,20)17(24,25)34(29,30)31;1-4-25(5-2)12(27)14(15(20,21)22,32-11(26)10(3)17)31-9-7-6-8-13(18,19)16(23,24)33(28,29)30;1-8(15)9(24)30-12(13(18,19)20,10(25)23(2)3)29-7-5-4-6-11(16,17)14(21,22)31(26,27)28/h3-13H2,1-2H3,(H,32,33,34);10-11H,5-9H2,1-4H3,(H,30,31,32);3-11H2,1-2H3,(H,30,31,32);1-10H2,(H,29,30,31);10H,4-9H2,1-3H3,(H,29,30,31);3-9H2,1-2H3,(H,28,29,30);1,4-7H2,2-3H3,(H,26,27,28)/p-7
InChIKeyGWEIGGUDBNLUMW-UHFFFAOYSA-G
MW3766.91 g/mol
LogP24.57
Rot. Bonds93

About 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate

6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate (PubChem CID 158384250) has the molecular formula C120H154F56N7O49S7-7 and a molecular weight of 3766.91 g/mol. Its IUPAC name is 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate.

Molecular Properties

Compound Name6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate
PubChem CID158384250
Molecular FormulaC120H154F56N7O49S7-7
Molecular Weight3766.91 g/mol
Exact Mass3764.70
IUPAC Name6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate
SMILESC=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(C(C)C)C(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)C(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)CC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CCC)CCC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CCCC)CCCC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H29F8NO7S.2C18H25F8NO7S.C17H21F8NO7S.C17H23F8NO7S.C16H21F8NO7S.C14H17F8NO7S/c1-4-6-11-29(12-7-5-2)16(31)18(19(24,25)26,36-15(30)14(3)21)35-13-9-8-10-17(22,23)20(27,28)37(32,33)34;1-10(2)27(11(3)4)14(29)16(17(22,23)24,34-13(28)12(5)19)33-9-7-6-8-15(20,21)18(25,26)35(30,31)32;1-4-9-27(10-5-2)14(29)16(17(22,23)24,34-13(28)12(3)19)33-11-7-6-8-15(20,21)18(25,26)35(30,31)32;1-11(18)12(27)33-15(16(21,22)23,13(28)26-8-4-2-5-9-26)32-10-6-3-7-14(19,20)17(24,25)34(29,30)31;1-5-26(10(2)3)13(28)15(16(21,22)23,33-12(27)11(4)18)32-9-7-6-8-14(19,20)17(24,25)34(29,30)31;1-4-25(5-2)12(27)14(15(20,21)22,32-11(26)10(3)17)31-9-7-6-8-13(18,19)16(23,24)33(28,29)30;1-8(15)9(24)30-12(13(18,19)20,10(25)23(2)3)29-7-5-4-6-11(16,17)14(21,22)31(26,27)28/h3-13H2,1-2H3,(H,32,33,34);10-11H,5-9H2,1-4H3,(H,30,31,32);3-11H2,1-2H3,(H,30,31,32);1-10H2,(H,29,30,31);10H,4-9H2,1-3H3,(H,29,30,31);3-9H2,1-2H3,(H,28,29,30);1,4-7H2,2-3H3,(H,26,27,28)/p-7
InChIKeyGWEIGGUDBNLUMW-UHFFFAOYSA-G
XLogP24.57
TPSA791.28 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds93
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003766.91
LogP ≤ 524.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate?
The IUPAC name of 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate (CID 158384250) is 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate.
What is the SMILES notation for 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate?
The canonical SMILES for 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate is C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(C(C)C)C(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)C(C)C)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)CC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CCC)CCC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N(CCCC)CCCC)C(F)(F)F.C=C(F)C(=O)OC(OCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-])(C(=O)N1CCCCC1)C(F)(F)F.
What is the InChIKey of 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate?
The InChIKey is GWEIGGUDBNLUMW-UHFFFAOYSA-G. The full InChI is InChI=1S/C20H29F8NO7S.2C18H25F8NO7S.C17H21F8NO7S.C17H23F8NO7S.C16H21F8NO7S.C14H17F8NO7S/c1-4-6-11-29(12-7-5-2)16(31)18(19(24,25)26,36-15(30)14(3)21)35-13-9-8-10-17(22,23)20(27,28)37(32,33)34;1-10(2)27(11(3)4)14(29)16(17(22,23)24,34-13(28)12(5)19)33-9-7-6-8-15(20,21)18(25,26)35(30,31)32;1-4-9-27(10-5-2)14(29)16(17(22,23)24,34-13(28)12(3)19)33-11-7-6-8-15(20,21)18(25,26)35(30,31)32;1-11(18)12(27)33-15(16(21,22)23,13(28)26-8-4-2-5-9-26)32-10-6-3-7-14(19,20)17(24,25)34(29,30)31;1-5-26(10(2)3)13(28)15(16(21,22)23,33-12(27)11(4)18)32-9-7-6-8-14(19,20)17(24,25)34(29,30)31;1-4-25(5-2)12(27)14(15(20,21)22,32-11(26)10(3)17)31-9-7-6-8-13(18,19)16(23,24)33(28,29)30;1-8(15)9(24)30-12(13(18,19)20,10(25)23(2)3)29-7-5-4-6-11(16,17)14(21,22)31(26,27)28/h3-13H2,1-2H3,(H,32,33,34);10-11H,5-9H2,1-4H3,(H,30,31,32);3-11H2,1-2H3,(H,30,31,32);1-10H2,(H,29,30,31);10H,4-9H2,1-3H3,(H,29,30,31);3-9H2,1-2H3,(H,28,29,30);1,4-7H2,2-3H3,(H,26,27,28)/p-7.
What are the key properties of 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate?
6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate has a molecular weight of 3766.91 g/mol, XLogP of 24.57, 93 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dibutylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;6-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorohexane-1-sulfonate;1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyhexane-1-sulfonate is sourced from PubChem (CID 158384250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).