2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate

C110H128F36O62S12-12 — CID 157411095

IUPAC2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
SMILESCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CC=CCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3OC(=O)C1C3C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CC2CC1C1C3C=CC(C3)C21.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CC=CCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1
InChIInChI=1S/C15H18F2O5S.C13H18F2O5S.C11H12F2O7S.C10H13F5O5S.C10H11F5O5S.C9H14F2O5S.C9H12F2O5S.C9H8F2O5S.C8H11F5O5S.C7H12F2O5S.C5H5F5O5S.C4H6F2O5S/c16-15(17,23(19,20)21)6-22-14(18)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;3*10-9(11,17(13,14)15)6-16-8(12)7-4-2-1-3-5-7;1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14;1-3(7)11-2-4(5,6)12(8,9)10/h1-2,7-13H,3-6H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);4-8H,1-3H2,(H,16,17,18);6,8H,1-5H2,(H,17,18,19);1-2,6,8H,3-5H2,(H,17,18,19);7H,1-6H2,(H,13,14,15);1-2,7H,3-6H2,(H,13,14,15);1-5H,6H2,(H,13,14,15);4H,1-3H3,(H,15,16,17);4H2,1-3H3,(H,11,12,13);3H,1H3,(H,12,13,14);2H2,1H3,(H,8,9,10)/p-12
InChIKeyBOHJMNPHYSEVRM-UHFFFAOYSA-B
MW3510.90 g/mol
LogP13.56
Rot. Bonds44

About 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate

2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate (PubChem CID 157411095) has the molecular formula C110H128F36O62S12-12 and a molecular weight of 3510.90 g/mol. Its IUPAC name is 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate.

Molecular Properties

Compound Name2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
PubChem CID157411095
Molecular FormulaC110H128F36O62S12-12
Molecular Weight3510.90 g/mol
Exact Mass3508.30
IUPAC Name2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
SMILESCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CC=CCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3OC(=O)C1C3C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CC2CC1C1C3C=CC(C3)C21.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CC=CCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1
InChIInChI=1S/C15H18F2O5S.C13H18F2O5S.C11H12F2O7S.C10H13F5O5S.C10H11F5O5S.C9H14F2O5S.C9H12F2O5S.C9H8F2O5S.C8H11F5O5S.C7H12F2O5S.C5H5F5O5S.C4H6F2O5S/c16-15(17,23(19,20)21)6-22-14(18)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;3*10-9(11,17(13,14)15)6-16-8(12)7-4-2-1-3-5-7;1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14;1-3(7)11-2-4(5,6)12(8,9)10/h1-2,7-13H,3-6H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);4-8H,1-3H2,(H,16,17,18);6,8H,1-5H2,(H,17,18,19);1-2,6,8H,3-5H2,(H,17,18,19);7H,1-6H2,(H,13,14,15);1-2,7H,3-6H2,(H,13,14,15);1-5H,6H2,(H,13,14,15);4H,1-3H3,(H,15,16,17);4H2,1-3H3,(H,11,12,13);3H,1H3,(H,12,13,14);2H2,1H3,(H,8,9,10)/p-12
InChIKeyBOHJMNPHYSEVRM-UHFFFAOYSA-B
XLogP13.56
TPSA1028.30 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds44
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003510.90
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate?
The IUPAC name of 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate (CID 157411095) is 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate.
What is the SMILES notation for 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate?
The canonical SMILES for 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate is CC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CC=CCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3OC(=O)C1C3C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CC2CC1C1C3C=CC(C3)C21.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CC=CCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1.
What is the InChIKey of 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate?
The InChIKey is BOHJMNPHYSEVRM-UHFFFAOYSA-B. The full InChI is InChI=1S/C15H18F2O5S.C13H18F2O5S.C11H12F2O7S.C10H13F5O5S.C10H11F5O5S.C9H14F2O5S.C9H12F2O5S.C9H8F2O5S.C8H11F5O5S.C7H12F2O5S.C5H5F5O5S.C4H6F2O5S/c16-15(17,23(19,20)21)6-22-14(18)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;3*10-9(11,17(13,14)15)6-16-8(12)7-4-2-1-3-5-7;1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-2(11)15-3(4(6,7)8)5(9,10)16(12,13)14;1-3(7)11-2-4(5,6)12(8,9)10/h1-2,7-13H,3-6H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);4-8H,1-3H2,(H,16,17,18);6,8H,1-5H2,(H,17,18,19);1-2,6,8H,3-5H2,(H,17,18,19);7H,1-6H2,(H,13,14,15);1-2,7H,3-6H2,(H,13,14,15);1-5H,6H2,(H,13,14,15);4H,1-3H3,(H,15,16,17);4H2,1-3H3,(H,11,12,13);3H,1H3,(H,12,13,14);2H2,1H3,(H,8,9,10)/p-12.
What are the key properties of 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate?
2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate has a molecular weight of 3510.90 g/mol, XLogP of 13.56, 44 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-1,1-difluoroethanesulfonate;2-acetyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclohex-3-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)ethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate is sourced from PubChem (CID 157411095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).