2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate

C196H234F36O91S18-18 — CID 158352155

IUPAC2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate
SMILESCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CC(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C(C)(C)C)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1CCCC1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1CCCCC1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(-c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc2ccccc2c1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1cccc2ccccc12)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccccc1)C(F)(F)S(=O)(=O)[O-].CCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[O-])cc1
InChIInChI=1S/C18H14F2O5S.C16H14F2O5S.2C14H20F2O5S.2C14H12F2O5S.C14H18F2O5S.C11H12F2O6S.C10H16F2O5S.C10H10F2O5S.C10H18F2O5S.C9H14F2O5S.C9H16F2O5S.C8H14F2O5S.2C7H12F2O5S.C6H10F2O5S.C5H8F2O5S/c1-11(18(19,20)26(22,23)24)25-17(21)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-11(16(17,18)24(20,21)22)23-15(19)14-9-7-13(8-10-14)12-5-3-2-4-6-12;1-8(14(15,16)22(18,19)20)21-12(17)13-5-9-2-10(6-13)4-11(3-9)7-13;1-7(14(15,16)22(18,19)20)21-13(17)12-10-3-8-2-9(5-10)6-11(12)4-8;1-9(14(15,16)22(18,19)20)21-13(17)12-8-4-6-10-5-2-3-7-11(10)12;1-9(14(15,16)22(18,19)20)21-13(17)12-7-6-10-4-2-3-5-11(10)8-12;1-9(14(15,16)22(18,19)20)21-12(17)10-5-7-11(8-6-10)13(2,3)4;1-7(11(12,13)20(15,16)17)19-10(14)8-3-5-9(18-2)6-4-8;2*1-7(10(11,12)18(14,15)16)17-9(13)8-5-3-2-4-6-8;1-3-4-5-6-7-9(13)17-8(2)10(11,12)18(14,15)16;1-6(9(10,11)17(13,14)15)16-8(12)7-4-2-3-5-7;1-3-4-5-6-8(12)16-7(2)9(10,11)17(13,14)15;1-5(8(9,10)16(12,13)14)15-6(11)7(2,3)4;1-4(2)6(10)14-5(3)7(8,9)15(11,12)13;1-3-4-6(10)14-5(2)7(8,9)15(11,12)13;1-3-5(9)13-4(2)6(7,8)14(10,11)12;1-3(12-4(2)8)5(6,7)13(9,10)11/h2-11H,1H3,(H,22,23,24);2-11H,1H3,(H,20,21,22);8-11H,2-7H2,1H3,(H,18,19,20);7-12H,2-6H2,1H3,(H,18,19,20);2*2-9H,1H3,(H,18,19,20);5-9H,1-4H3,(H,18,19,20);3-7H,1-2H3,(H,15,16,17);7-8H,2-6H2,1H3,(H,14,15,16);2-7H,1H3,(H,14,15,16);8H,3-7H2,1-2H3,(H,14,15,16);6-7H,2-5H2,1H3,(H,13,14,15);7H,3-6H2,1-2H3,(H,13,14,15);5H,1-4H3,(H,12,13,14);4-5H,1-3H3,(H,11,12,13);5H,3-4H2,1-2H3,(H,11,12,13);4H,3H2,1-2H3,(H,10,11,12);3H,1-2H3,(H,9,10,11)/p-18
InChIKeyGSLJRTGGHOOGEN-UHFFFAOYSA-A
MW5307.07 g/mol
LogP31.33
Rot. Bonds80

About 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate

2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate (PubChem CID 158352155) has the molecular formula C196H234F36O91S18-18 and a molecular weight of 5307.07 g/mol. Its IUPAC name is 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate.

Molecular Properties

Compound Name2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate
PubChem CID158352155
Molecular FormulaC196H234F36O91S18-18
Molecular Weight5307.07 g/mol
Exact Mass5302.82
IUPAC Name2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate
SMILESCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CC(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C(C)(C)C)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1CCCC1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1CCCCC1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(-c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc2ccccc2c1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1cccc2ccccc12)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccccc1)C(F)(F)S(=O)(=O)[O-].CCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[O-])cc1
InChIInChI=1S/C18H14F2O5S.C16H14F2O5S.2C14H20F2O5S.2C14H12F2O5S.C14H18F2O5S.C11H12F2O6S.C10H16F2O5S.C10H10F2O5S.C10H18F2O5S.C9H14F2O5S.C9H16F2O5S.C8H14F2O5S.2C7H12F2O5S.C6H10F2O5S.C5H8F2O5S/c1-11(18(19,20)26(22,23)24)25-17(21)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-11(16(17,18)24(20,21)22)23-15(19)14-9-7-13(8-10-14)12-5-3-2-4-6-12;1-8(14(15,16)22(18,19)20)21-12(17)13-5-9-2-10(6-13)4-11(3-9)7-13;1-7(14(15,16)22(18,19)20)21-13(17)12-10-3-8-2-9(5-10)6-11(12)4-8;1-9(14(15,16)22(18,19)20)21-13(17)12-8-4-6-10-5-2-3-7-11(10)12;1-9(14(15,16)22(18,19)20)21-13(17)12-7-6-10-4-2-3-5-11(10)8-12;1-9(14(15,16)22(18,19)20)21-12(17)10-5-7-11(8-6-10)13(2,3)4;1-7(11(12,13)20(15,16)17)19-10(14)8-3-5-9(18-2)6-4-8;2*1-7(10(11,12)18(14,15)16)17-9(13)8-5-3-2-4-6-8;1-3-4-5-6-7-9(13)17-8(2)10(11,12)18(14,15)16;1-6(9(10,11)17(13,14)15)16-8(12)7-4-2-3-5-7;1-3-4-5-6-8(12)16-7(2)9(10,11)17(13,14)15;1-5(8(9,10)16(12,13)14)15-6(11)7(2,3)4;1-4(2)6(10)14-5(3)7(8,9)15(11,12)13;1-3-4-6(10)14-5(2)7(8,9)15(11,12)13;1-3-5(9)13-4(2)6(7,8)14(10,11)12;1-3(12-4(2)8)5(6,7)13(9,10)11/h2-11H,1H3,(H,22,23,24);2-11H,1H3,(H,20,21,22);8-11H,2-7H2,1H3,(H,18,19,20);7-12H,2-6H2,1H3,(H,18,19,20);2*2-9H,1H3,(H,18,19,20);5-9H,1-4H3,(H,18,19,20);3-7H,1-2H3,(H,15,16,17);7-8H,2-6H2,1H3,(H,14,15,16);2-7H,1H3,(H,14,15,16);8H,3-7H2,1-2H3,(H,14,15,16);6-7H,2-5H2,1H3,(H,13,14,15);7H,3-6H2,1-2H3,(H,13,14,15);5H,1-4H3,(H,12,13,14);4-5H,1-3H3,(H,11,12,13);5H,3-4H2,1-2H3,(H,11,12,13);4H,3H2,1-2H3,(H,10,11,12);3H,1-2H3,(H,9,10,11)/p-18
InChIKeyGSLJRTGGHOOGEN-UHFFFAOYSA-A
XLogP31.33
TPSA1512.23 Ų
H-Bond Donors
H-Bond Acceptors91
Rotatable Bonds80
Heavy Atoms341
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005307.07
LogP ≤ 531.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1091

Analyze 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate?
The IUPAC name of 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate (CID 158352155) is 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate.
What is the SMILES notation for 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate?
The canonical SMILES for 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate is CC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CC(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C(C)(C)C)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1CCCC1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)C1CCCCC1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1c2ccccc2cc2ccccc12)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(-c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc2ccccc2c1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1cccc2ccccc12)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccccc1)C(F)(F)S(=O)(=O)[O-].CCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[O-])cc1.
What is the InChIKey of 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate?
The InChIKey is GSLJRTGGHOOGEN-UHFFFAOYSA-A. The full InChI is InChI=1S/C18H14F2O5S.C16H14F2O5S.2C14H20F2O5S.2C14H12F2O5S.C14H18F2O5S.C11H12F2O6S.C10H16F2O5S.C10H10F2O5S.C10H18F2O5S.C9H14F2O5S.C9H16F2O5S.C8H14F2O5S.2C7H12F2O5S.C6H10F2O5S.C5H8F2O5S/c1-11(18(19,20)26(22,23)24)25-17(21)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16;1-11(16(17,18)24(20,21)22)23-15(19)14-9-7-13(8-10-14)12-5-3-2-4-6-12;1-8(14(15,16)22(18,19)20)21-12(17)13-5-9-2-10(6-13)4-11(3-9)7-13;1-7(14(15,16)22(18,19)20)21-13(17)12-10-3-8-2-9(5-10)6-11(12)4-8;1-9(14(15,16)22(18,19)20)21-13(17)12-8-4-6-10-5-2-3-7-11(10)12;1-9(14(15,16)22(18,19)20)21-13(17)12-7-6-10-4-2-3-5-11(10)8-12;1-9(14(15,16)22(18,19)20)21-12(17)10-5-7-11(8-6-10)13(2,3)4;1-7(11(12,13)20(15,16)17)19-10(14)8-3-5-9(18-2)6-4-8;2*1-7(10(11,12)18(14,15)16)17-9(13)8-5-3-2-4-6-8;1-3-4-5-6-7-9(13)17-8(2)10(11,12)18(14,15)16;1-6(9(10,11)17(13,14)15)16-8(12)7-4-2-3-5-7;1-3-4-5-6-8(12)16-7(2)9(10,11)17(13,14)15;1-5(8(9,10)16(12,13)14)15-6(11)7(2,3)4;1-4(2)6(10)14-5(3)7(8,9)15(11,12)13;1-3-4-6(10)14-5(2)7(8,9)15(11,12)13;1-3-5(9)13-4(2)6(7,8)14(10,11)12;1-3(12-4(2)8)5(6,7)13(9,10)11/h2-11H,1H3,(H,22,23,24);2-11H,1H3,(H,20,21,22);8-11H,2-7H2,1H3,(H,18,19,20);7-12H,2-6H2,1H3,(H,18,19,20);2*2-9H,1H3,(H,18,19,20);5-9H,1-4H3,(H,18,19,20);3-7H,1-2H3,(H,15,16,17);7-8H,2-6H2,1H3,(H,14,15,16);2-7H,1H3,(H,14,15,16);8H,3-7H2,1-2H3,(H,14,15,16);6-7H,2-5H2,1H3,(H,13,14,15);7H,3-6H2,1-2H3,(H,13,14,15);5H,1-4H3,(H,12,13,14);4-5H,1-3H3,(H,11,12,13);5H,3-4H2,1-2H3,(H,11,12,13);4H,3H2,1-2H3,(H,10,11,12);3H,1-2H3,(H,9,10,11)/p-18.
What are the key properties of 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate?
2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate has a molecular weight of 5307.07 g/mol, XLogP of 31.33, 80 rotatable bonds, 0 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-butanoyloxy-1,1-difluoropropane-1-sulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-heptanoyloxypropane-1-sulfonate;1,1-difluoro-2-hexanoyloxypropane-1-sulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-propanoyloxypropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 158352155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).