3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate

C106H126F56N7O49S7-7 — CID 159403071

IUPAC3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate
SMILESC=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(C(C)C)C(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)C(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)CC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CCC)CCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CCCC)CCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H25F8NO7S.2C16H21F8NO7S.C15H17F8NO7S.C15H19F8NO7S.C14H17F8NO7S.C12H13F8NO7S/c1-4-6-9-27(10-7-5-2)14(29)16(18(24,25)26,34-13(28)12(3)17(21,22)23)33-11-8-15(19,20)35(30,31)32;1-8(2)25(9(3)4)12(27)14(16(22,23)24,32-11(26)10(5)15(19,20)21)31-7-6-13(17,18)33(28,29)30;1-4-7-25(8-5-2)12(27)14(16(22,23)24,32-11(26)10(3)15(19,20)21)31-9-6-13(17,18)33(28,29)30;1-9(14(18,19)20)10(25)31-13(15(21,22)23,11(26)24-6-3-2-4-7-24)30-8-5-12(16,17)32(27,28)29;1-5-24(8(2)3)11(26)13(15(21,22)23,31-10(25)9(4)14(18,19)20)30-7-6-12(16,17)32(27,28)29;1-4-23(5-2)10(25)12(14(20,21)22,30-9(24)8(3)13(17,18)19)29-7-6-11(15,16)31(26,27)28;1-6(11(15,16)17)7(22)28-10(12(18,19)20,8(23)21(2)3)27-5-4-9(13,14)29(24,25)26/h3-11H2,1-2H3,(H,30,31,32);8-9H,5-7H2,1-4H3,(H,28,29,30);3-9H2,1-2H3,(H,28,29,30);1-8H2,(H,27,28,29);8H,4-7H2,1-3H3,(H,27,28,29);3-7H2,1-2H3,(H,26,27,28);1,4-5H2,2-3H3,(H,24,25,26)/p-7
InChIKeyLNPFTBKBTBHHFJ-UHFFFAOYSA-G
MW3570.53 g/mol
LogP19.11
Rot. Bonds72

About 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate

3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate (PubChem CID 159403071) has the molecular formula C106H126F56N7O49S7-7 and a molecular weight of 3570.53 g/mol. Its IUPAC name is 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate.

Molecular Properties

Compound Name3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate
PubChem CID159403071
Molecular FormulaC106H126F56N7O49S7-7
Molecular Weight3570.53 g/mol
Exact Mass3568.48
IUPAC Name3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate
SMILESC=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(C(C)C)C(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)C(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)CC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CCC)CCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CCCC)CCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H25F8NO7S.2C16H21F8NO7S.C15H17F8NO7S.C15H19F8NO7S.C14H17F8NO7S.C12H13F8NO7S/c1-4-6-9-27(10-7-5-2)14(29)16(18(24,25)26,34-13(28)12(3)17(21,22)23)33-11-8-15(19,20)35(30,31)32;1-8(2)25(9(3)4)12(27)14(16(22,23)24,32-11(26)10(5)15(19,20)21)31-7-6-13(17,18)33(28,29)30;1-4-7-25(8-5-2)12(27)14(16(22,23)24,32-11(26)10(3)15(19,20)21)31-9-6-13(17,18)33(28,29)30;1-9(14(18,19)20)10(25)31-13(15(21,22)23,11(26)24-6-3-2-4-7-24)30-8-5-12(16,17)32(27,28)29;1-5-24(8(2)3)11(26)13(15(21,22)23,31-10(25)9(4)14(18,19)20)30-7-6-12(16,17)32(27,28)29;1-4-23(5-2)10(25)12(14(20,21)22,30-9(24)8(3)13(17,18)19)29-7-6-11(15,16)31(26,27)28;1-6(11(15,16)17)7(22)28-10(12(18,19)20,8(23)21(2)3)27-5-4-9(13,14)29(24,25)26/h3-11H2,1-2H3,(H,30,31,32);8-9H,5-7H2,1-4H3,(H,28,29,30);3-9H2,1-2H3,(H,28,29,30);1-8H2,(H,27,28,29);8H,4-7H2,1-3H3,(H,27,28,29);3-7H2,1-2H3,(H,26,27,28);1,4-5H2,2-3H3,(H,24,25,26)/p-7
InChIKeyLNPFTBKBTBHHFJ-UHFFFAOYSA-G
XLogP19.11
TPSA791.28 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds72
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003570.53
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate with MolForge

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Launch Full Analysis

Related Compounds

1,1-Difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate
CID 140614243
1,1-Difluoro-2-[1,1,1-trifluoro-2-(2-methylprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxyethanesulfonate
CID 140614284
1,1,2,2-Tetrafluoro-5-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypentane-1-sulfonate
CID 140614532
1,1,2,2-Tetrafluoro-4-[1,1,1-trifluoro-2-(2-methylprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxybutane-1-sulfonate
CID 140614549
1,1-Difluoro-2-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate
CID 140614558
1,1,2,2-Tetrafluoro-4-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxybutane-1-sulfonate
CID 140614565
1,1,2,2-Tetrafluoro-5-[1,1,1-trifluoro-2-(2-methylprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxypentane-1-sulfonate
CID 140614712
1,1-Difluoro-3-[1,1,1-trifluoro-2-(2-methylprop-2-enoyloxy)-3-oxo-3-piperidin-1-ylpropan-2-yl]oxypropane-1-sulfonate
CID 140614717
2-[3-(Dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[3-(diethylamino)-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-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxyethanesulfonate;2-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;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;2-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoroethanesulfonate
CID 157150306
CID 157897278
CID 157897278
3-[3-(Diethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-morpholin-4-yl-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperazin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-2-(2-fluoroprop-2-enoyloxy)-3-oxopropan-2-yl]oxy-1,1-difluoropropane-1-sulfonate
CID 158120332
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate?
The IUPAC name of 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate (CID 159403071) is 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate.
What is the SMILES notation for 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate?
The canonical SMILES for 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate is C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(C(C)C)C(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)C(C)C)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CC)CC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CCC)CCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N(CCCC)CCCC)C(F)(F)F)C(F)(F)F.C=C(C(=O)OC(OCCC(F)(F)S(=O)(=O)[O-])(C(=O)N1CCCCC1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate?
The InChIKey is LNPFTBKBTBHHFJ-UHFFFAOYSA-G. The full InChI is InChI=1S/C18H25F8NO7S.2C16H21F8NO7S.C15H17F8NO7S.C15H19F8NO7S.C14H17F8NO7S.C12H13F8NO7S/c1-4-6-9-27(10-7-5-2)14(29)16(18(24,25)26,34-13(28)12(3)17(21,22)23)33-11-8-15(19,20)35(30,31)32;1-8(2)25(9(3)4)12(27)14(16(22,23)24,32-11(26)10(5)15(19,20)21)31-7-6-13(17,18)33(28,29)30;1-4-7-25(8-5-2)12(27)14(16(22,23)24,32-11(26)10(3)15(19,20)21)31-9-6-13(17,18)33(28,29)30;1-9(14(18,19)20)10(25)31-13(15(21,22)23,11(26)24-6-3-2-4-7-24)30-8-5-12(16,17)32(27,28)29;1-5-24(8(2)3)11(26)13(15(21,22)23,31-10(25)9(4)14(18,19)20)30-7-6-12(16,17)32(27,28)29;1-4-23(5-2)10(25)12(14(20,21)22,30-9(24)8(3)13(17,18)19)29-7-6-11(15,16)31(26,27)28;1-6(11(15,16)17)7(22)28-10(12(18,19)20,8(23)21(2)3)27-5-4-9(13,14)29(24,25)26/h3-11H2,1-2H3,(H,30,31,32);8-9H,5-7H2,1-4H3,(H,28,29,30);3-9H2,1-2H3,(H,28,29,30);1-8H2,(H,27,28,29);8H,4-7H2,1-3H3,(H,27,28,29);3-7H2,1-2H3,(H,26,27,28);1,4-5H2,2-3H3,(H,24,25,26)/p-7.
What are the key properties of 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate?
3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate has a molecular weight of 3570.53 g/mol, XLogP of 19.11, 72 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dibutylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(diethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[1,1,1-trifluoro-3-oxo-3-piperidin-1-yl-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropane-1-sulfonate;3-[3-(dimethylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[di(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-(dipropylamino)-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate;3-[3-[ethyl(propan-2-yl)amino]-1,1,1-trifluoro-3-oxo-2-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxy-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 159403071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).