2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate

C93H82F64O64S8-8 — CID 160834692

IUPAC2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate
SMILESC=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)O)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC(C)(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCCCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C13H14F8O8S.2C12H12F8O8S.C11H10F8O8S.C10H8F8O8S.C9H6F8O8S/c1-6(12(16,17)18)7(22)28-11(13(19,20)21,8(23)29-9(2,3)4)27-5-10(14,15)30(24,25)26;1-6(2)4-27-9(23)11(13(19,20)21,28-5-10(14,15)30(24,25)26)29-8(22)7(3)12(16,17)18;1-3-4-5-27-9(23)11(13(19,20)21,28-6-10(14,15)30(24,25)26)29-8(22)7(2)12(16,17)18;1-5(2)27-8(22)10(12(18,19)20,26-4-9(13,14)29(23,24)25)28-7(21)6(3)11(15,16)17;1-3-4-26-8(22)10(12(18,19)20,27-5-9(13,14)29(23,24)25)28-7(21)6(2)11(15,16)17;1-3-25-7(21)9(11(17,18)19,26-4-8(12,13)28(22,23)24)27-6(20)5(2)10(14,15)16;1-4(9(13,14)15)5(19)26-8(6(20)24-2,10(16,17)18)25-3-7(11,12)27(21,22)23;1-3(8(12,13)14)4(18)25-7(5(19)20,9(15,16)17)24-2-6(10,11)26(21,22)23/h1,5H2,2-4H3,(H,24,25,26);6H,3-5H2,1-2H3,(H,24,25,26);2-6H2,1H3,(H,24,25,26);5H,3-4H2,1-2H3,(H,23,24,25);2-5H2,1H3,(H,23,24,25);2-4H2,1H3,(H,22,23,24);1,3H2,2H3,(H,21,22,23);1-2H2,(H,19,20)(H,21,22,23)/p-8
InChIKeySHGKQKFFAQUMDQ-UHFFFAOYSA-F
MW3696.02 g/mol
LogP15.10
Rot. Bonds65

About 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate

2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate (PubChem CID 160834692) has the molecular formula C93H82F64O64S8-8 and a molecular weight of 3696.02 g/mol. Its IUPAC name is 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate.

Molecular Properties

Compound Name2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate
PubChem CID160834692
Molecular FormulaC93H82F64O64S8-8
Molecular Weight3696.02 g/mol
Exact Mass3693.99
IUPAC Name2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate
SMILESC=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)O)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC(C)(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCCCC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C13H14F8O8S.2C12H12F8O8S.C11H10F8O8S.C10H8F8O8S.C9H6F8O8S/c1-6(12(16,17)18)7(22)28-11(13(19,20)21,8(23)29-9(2,3)4)27-5-10(14,15)30(24,25)26;1-6(2)4-27-9(23)11(13(19,20)21,28-5-10(14,15)30(24,25)26)29-8(22)7(3)12(16,17)18;1-3-4-5-27-9(23)11(13(19,20)21,28-6-10(14,15)30(24,25)26)29-8(22)7(2)12(16,17)18;1-5(2)27-8(22)10(12(18,19)20,26-4-9(13,14)29(23,24)25)28-7(21)6(3)11(15,16)17;1-3-4-26-8(22)10(12(18,19)20,27-5-9(13,14)29(23,24)25)28-7(21)6(2)11(15,16)17;1-3-25-7(21)9(11(17,18)19,26-4-8(12,13)28(22,23)24)27-6(20)5(2)10(14,15)16;1-4(9(13,14)15)5(19)26-8(6(20)24-2,10(16,17)18)25-3-7(11,12)27(21,22)23;1-3(8(12,13)14)4(18)25-7(5(19)20,9(15,16)17)24-2-6(10,11)26(21,22)23/h1,5H2,2-4H3,(H,24,25,26);6H,3-5H2,1-2H3,(H,24,25,26);2-6H2,1H3,(H,24,25,26);5H,3-4H2,1-2H3,(H,23,24,25);2-5H2,1H3,(H,23,24,25);2-4H2,1H3,(H,22,23,24);1,3H2,2H3,(H,21,22,23);1-2H2,(H,19,20)(H,21,22,23)/p-8
InChIKeySHGKQKFFAQUMDQ-UHFFFAOYSA-F
XLogP15.10
TPSA963.24 Ų
H-Bond Donors1
H-Bond Acceptors63
Rotatable Bonds65
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003696.02
LogP ≤ 515.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1063

Analyze 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate with MolForge

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Related Compounds

2-[1-carboxy-1-(cyclohexanecarbonyloxy)-2,2,2-trifluoroethoxy]-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxo-3-propan-2-yloxypropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl]oxy-1,1-difluoroethanesulfonate
CID 161195871
1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate
CID 140614167
1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate
CID 140614483
1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyhexane-1-sulfonate
CID 140614455
2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate
CID 160729946
1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-(2-oxopropoxy)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate
CID 140614479
1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonic acid
CID 140614168
2-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate
CID 140614037
2-[3-cyclohexyloxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-(2-oxopropoxy)-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-phenoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-prop-2-enoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-yl]oxyethanesulfonate;2-[3-ethenoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate
CID 158881430
1,1-difluoro-3-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-propan-2-yloxypropan-2-yl]oxypropane-1-sulfonate
CID 140614005
1,1-difluoro-2-[1,1,1-trifluoro-2-(2-methylprop-2-enoyloxy)-3-oxo-3-(2-oxopropoxy)propan-2-yl]oxyethanesulfonate
CID 140614302
1,1,2,2-tetrafluoro-6-[1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxo-3-propoxypropan-2-yl]oxyhexane-1-sulfonate
CID 140614621

Frequently Asked Questions

What is the IUPAC name of 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate?
The IUPAC name of 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate (CID 160834692) is 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate.
What is the SMILES notation for 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate?
The canonical SMILES for 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate is C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)O)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC(C)(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCC(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OCCCC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate?
The InChIKey is SHGKQKFFAQUMDQ-UHFFFAOYSA-F. The full InChI is InChI=1S/3C13H14F8O8S.2C12H12F8O8S.C11H10F8O8S.C10H8F8O8S.C9H6F8O8S/c1-6(12(16,17)18)7(22)28-11(13(19,20)21,8(23)29-9(2,3)4)27-5-10(14,15)30(24,25)26;1-6(2)4-27-9(23)11(13(19,20)21,28-5-10(14,15)30(24,25)26)29-8(22)7(3)12(16,17)18;1-3-4-5-27-9(23)11(13(19,20)21,28-6-10(14,15)30(24,25)26)29-8(22)7(2)12(16,17)18;1-5(2)27-8(22)10(12(18,19)20,26-4-9(13,14)29(23,24)25)28-7(21)6(3)11(15,16)17;1-3-4-26-8(22)10(12(18,19)20,27-5-9(13,14)29(23,24)25)28-7(21)6(2)11(15,16)17;1-3-25-7(21)9(11(17,18)19,26-4-8(12,13)28(22,23)24)27-6(20)5(2)10(14,15)16;1-4(9(13,14)15)5(19)26-8(6(20)24-2,10(16,17)18)25-3-7(11,12)27(21,22)23;1-3(8(12,13)14)4(18)25-7(5(19)20,9(15,16)17)24-2-6(10,11)26(21,22)23/h1,5H2,2-4H3,(H,24,25,26);6H,3-5H2,1-2H3,(H,24,25,26);2-6H2,1H3,(H,24,25,26);5H,3-4H2,1-2H3,(H,23,24,25);2-5H2,1H3,(H,23,24,25);2-4H2,1H3,(H,22,23,24);1,3H2,2H3,(H,21,22,23);1-2H2,(H,19,20)(H,21,22,23)/p-8.
What are the key properties of 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate?
2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate has a molecular weight of 3696.02 g/mol, XLogP of 15.10, 65 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-butoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[1-carboxy-2,2,2-trifluoro-1-[2-(trifluoromethyl)prop-2-enoyloxy]ethoxy]-1,1-difluoroethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-methoxy-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propan-2-yloxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;1,1-difluoro-2-[1,1,1-trifluoro-3-oxo-3-propoxy-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate is sourced from PubChem (CID 160834692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).