2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate

C114H147F30N5O56S10-10 — CID 159803540

IUPAC2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate
SMILESC=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)C3.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.CN(C)CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.CNCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CC1CCCCC1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CCNc1ccccc1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CCc1ccccc1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1CC2CCC1O2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)N1CCCCC1.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)N1CCOCC1
InChIInChI=1S/C19H25F3O7S.C18H23F3O7S.C12H14F3NO5S.C12H13F3O5S.C11H17F3O5S.C10H13F3O6S.C9H14F3NO5S.C8H12F3NO6S.C8H14F3NO5S.C7H12F3NO5S/c1-10(2)15(23)29-17(3)13-5-11-4-12(6-13)8-18(17,7-11)16(24)28-14(19(20,21)22)9-30(25,26)27;1-10(2)14(22)28-17-6-11-3-12(7-17)5-16(4-11,9-17)15(23)27-13(18(19,20)21)8-29(24,25)26;13-12(14,15)10(8-22(18,19)20)21-11(17)6-7-16-9-4-2-1-3-5-9;13-12(14,15)10(8-21(17,18)19)20-11(16)7-6-9-4-2-1-3-5-9;12-11(13,14)9(7-20(16,17)18)19-10(15)6-8-4-2-1-3-5-8;11-10(12,13)8(4-20(15,16)17)19-9(14)6-3-5-1-2-7(6)18-5;10-9(11,12)7(6-19(15,16)17)18-8(14)13-4-2-1-3-5-13;9-8(10,11)6(5-19(14,15)16)18-7(13)12-1-3-17-4-2-12;1-12(2)4-3-7(13)17-6(8(9,10)11)5-18(14,15)16;1-11-3-2-6(12)16-5(7(8,9)10)4-17(13,14)15/h11-14H,1,4-9H2,2-3H3,(H,25,26,27);11-13H,1,3-9H2,2H3,(H,24,25,26);1-5,10,16H,6-8H2,(H,18,19,20);1-5,10H,6-8H2,(H,17,18,19);8-9H,1-7H2,(H,16,17,18);5-8H,1-4H2,(H,15,16,17);7H,1-6H2,(H,15,16,17);6H,1-5H2,(H,14,15,16);6H,3-5H2,1-2H3,(H,14,15,16);5,11H,2-4H2,1H3,(H,13,14,15)/p-10
InChIKeyNKCDAQFKXFVNCE-UHFFFAOYSA-D
MW3374.02 g/mol
LogP11.46
Rot. Bonds52

About 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate

2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate (PubChem CID 159803540) has the molecular formula C114H147F30N5O56S10-10 and a molecular weight of 3374.02 g/mol. Its IUPAC name is 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate.

Molecular Properties

Compound Name2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate
PubChem CID159803540
Molecular FormulaC114H147F30N5O56S10-10
Molecular Weight3374.02 g/mol
Exact Mass3371.56
IUPAC Name2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate
SMILESC=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)C3.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.CN(C)CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.CNCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CC1CCCCC1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CCNc1ccccc1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CCc1ccccc1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1CC2CCC1O2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)N1CCCCC1.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)N1CCOCC1
InChIInChI=1S/C19H25F3O7S.C18H23F3O7S.C12H14F3NO5S.C12H13F3O5S.C11H17F3O5S.C10H13F3O6S.C9H14F3NO5S.C8H12F3NO6S.C8H14F3NO5S.C7H12F3NO5S/c1-10(2)15(23)29-17(3)13-5-11-4-12(6-13)8-18(17,7-11)16(24)28-14(19(20,21)22)9-30(25,26)27;1-10(2)14(22)28-17-6-11-3-12(7-17)5-16(4-11,9-17)15(23)27-13(18(19,20)21)8-29(24,25)26;13-12(14,15)10(8-22(18,19)20)21-11(17)6-7-16-9-4-2-1-3-5-9;13-12(14,15)10(8-21(17,18)19)20-11(16)7-6-9-4-2-1-3-5-9;12-11(13,14)9(7-20(16,17)18)19-10(15)6-8-4-2-1-3-5-8;11-10(12,13)8(4-20(15,16)17)19-9(14)6-3-5-1-2-7(6)18-5;10-9(11,12)7(6-19(15,16)17)18-8(14)13-4-2-1-3-5-13;9-8(10,11)6(5-19(14,15)16)18-7(13)12-1-3-17-4-2-12;1-12(2)4-3-7(13)17-6(8(9,10)11)5-18(14,15)16;1-11-3-2-6(12)16-5(7(8,9)10)4-17(13,14)15/h11-14H,1,4-9H2,2-3H3,(H,25,26,27);11-13H,1,3-9H2,2H3,(H,24,25,26);1-5,10,16H,6-8H2,(H,18,19,20);1-5,10H,6-8H2,(H,17,18,19);8-9H,1-7H2,(H,16,17,18);5-8H,1-4H2,(H,15,16,17);7H,1-6H2,(H,15,16,17);6H,1-5H2,(H,14,15,16);6H,3-5H2,1-2H3,(H,14,15,16);5,11H,2-4H2,1H3,(H,13,14,15)/p-10
InChIKeyNKCDAQFKXFVNCE-UHFFFAOYSA-D
XLogP11.46
TPSA939.84 Ų
H-Bond Donors2
H-Bond Acceptors59
Rotatable Bonds52
Heavy Atoms215
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003374.02
LogP ≤ 511.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate?
The IUPAC name of 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate (CID 159803540) is 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate.
What is the SMILES notation for 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate?
The canonical SMILES for 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate is C=C(C)C(=O)OC1(C)C2CC3CC(C2)CC1(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)C3.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)(C3)C2.CN(C)CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.CNCCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CC1CCCCC1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CCNc1ccccc1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(CCc1ccccc1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1CC2CCC1O2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)N1CCCCC1.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)N1CCOCC1.
What is the InChIKey of 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate?
The InChIKey is NKCDAQFKXFVNCE-UHFFFAOYSA-D. The full InChI is InChI=1S/C19H25F3O7S.C18H23F3O7S.C12H14F3NO5S.C12H13F3O5S.C11H17F3O5S.C10H13F3O6S.C9H14F3NO5S.C8H12F3NO6S.C8H14F3NO5S.C7H12F3NO5S/c1-10(2)15(23)29-17(3)13-5-11-4-12(6-13)8-18(17,7-11)16(24)28-14(19(20,21)22)9-30(25,26)27;1-10(2)14(22)28-17-6-11-3-12(7-17)5-16(4-11,9-17)15(23)27-13(18(19,20)21)8-29(24,25)26;13-12(14,15)10(8-22(18,19)20)21-11(17)6-7-16-9-4-2-1-3-5-9;13-12(14,15)10(8-21(17,18)19)20-11(16)7-6-9-4-2-1-3-5-9;12-11(13,14)9(7-20(16,17)18)19-10(15)6-8-4-2-1-3-5-8;11-10(12,13)8(4-20(15,16)17)19-9(14)6-3-5-1-2-7(6)18-5;10-9(11,12)7(6-19(15,16)17)18-8(14)13-4-2-1-3-5-13;9-8(10,11)6(5-19(14,15)16)18-7(13)12-1-3-17-4-2-12;1-12(2)4-3-7(13)17-6(8(9,10)11)5-18(14,15)16;1-11-3-2-6(12)16-5(7(8,9)10)4-17(13,14)15/h11-14H,1,4-9H2,2-3H3,(H,25,26,27);11-13H,1,3-9H2,2H3,(H,24,25,26);1-5,10,16H,6-8H2,(H,18,19,20);1-5,10H,6-8H2,(H,17,18,19);8-9H,1-7H2,(H,16,17,18);5-8H,1-4H2,(H,15,16,17);7H,1-6H2,(H,15,16,17);6H,1-5H2,(H,14,15,16);6H,3-5H2,1-2H3,(H,14,15,16);5,11H,2-4H2,1H3,(H,13,14,15)/p-10.
What are the key properties of 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate?
2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate has a molecular weight of 3374.02 g/mol, XLogP of 11.46, 52 rotatable bonds, 2 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinopropanoyloxy)-3,3,3-trifluoropropane-1-sulfonate;2-(2-cyclohexylacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[3-(dimethylamino)propanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-[3-(methylamino)propanoyloxy]propane-1-sulfonate;3,3,3-trifluoro-2-[2-methyl-2-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(morpholine-4-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(3-phenylpropanoyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-(piperidine-1-carbonyloxy)propane-1-sulfonate is sourced from PubChem (CID 159803540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).