2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate

C178H198F36O91S18-18 — CID 160613075

IUPAC2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate
SMILESCC(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc(C(=O)OCC(F)(F)S(=O)(=O)[O-])cc1.CC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OCC(F)(F)S(=O)(=O)[O-])cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1cccc2ccccc12.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1
InChIInChI=1S/C17H12F2O5S.C15H12F2O5S.2C13H18F2O5S.2C13H10F2O5S.C13H16F2O5S.C10H10F2O6S.C9H14F2O5S.C9H8F2O5S.C9H16F2O5S.C8H12F2O5S.C8H14F2O5S.C7H12F2O5S.2C6H10F2O5S.C5H8F2O5S.C4H6F2O5S/c18-17(19,25(21,22)23)10-24-16(20)15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;16-15(17,23(19,20)21)10-22-14(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;14-13(15,21(17,18)19)6-20-12(16)11-9-2-7-1-8(4-9)5-10(11)3-7;14-13(15,21(17,18)19)8-20-12(16)11-7-3-5-9-4-1-2-6-10(9)11;14-13(15,21(17,18)19)8-20-12(16)11-6-5-9-3-1-2-4-10(9)7-11;1-12(2,3)10-6-4-9(5-7-10)11(16)20-8-13(14,15)21(17,18)19;1-17-8-4-2-7(3-5-8)9(13)18-6-10(11,12)19(14,15)16;2*10-9(11,17(13,14)15)6-16-8(12)7-4-2-1-3-5-7;1-2-3-4-5-6-8(12)16-7-9(10,11)17(13,14)15;9-8(10,16(12,13)14)5-15-7(11)6-3-1-2-4-6;1-2-3-4-5-7(11)15-6-8(9,10)16(12,13)14;1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-4(2)5(9)13-3-6(7,8)14(10,11)12;1-2-3-5(9)13-4-6(7,8)14(10,11)12;1-2-4(8)12-3-5(6,7)13(9,10)11;1-3(7)11-2-4(5,6)12(8,9)10/h1-9H,10H2,(H,21,22,23);1-9H,10H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);7-11H,1-6H2,(H,17,18,19);2*1-7H,8H2,(H,17,18,19);4-7H,8H2,1-3H3,(H,17,18,19);2-5H,6H2,1H3,(H,14,15,16);7H,1-6H2,(H,13,14,15);1-5H,6H2,(H,13,14,15);2-7H2,1H3,(H,13,14,15);6H,1-5H2,(H,12,13,14);2-6H2,1H3,(H,12,13,14);4H2,1-3H3,(H,11,12,13);4H,3H2,1-2H3,(H,10,11,12);2-4H2,1H3,(H,10,11,12);2-3H2,1H3,(H,9,10,11);2H2,1H3,(H,8,9,10)/p-18
InChIKeyRFSQQFOMZGYABM-UHFFFAOYSA-A
MW5054.59 g/mol
LogP24.34
Rot. Bonds80

About 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate

2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate (PubChem CID 160613075) has the molecular formula C178H198F36O91S18-18 and a molecular weight of 5054.59 g/mol. Its IUPAC name is 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate.

Molecular Properties

Compound Name2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate
PubChem CID160613075
Molecular FormulaC178H198F36O91S18-18
Molecular Weight5054.59 g/mol
Exact Mass5050.54
IUPAC Name2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate
SMILESCC(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc(C(=O)OCC(F)(F)S(=O)(=O)[O-])cc1.CC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OCC(F)(F)S(=O)(=O)[O-])cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1cccc2ccccc12.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1
InChIInChI=1S/C17H12F2O5S.C15H12F2O5S.2C13H18F2O5S.2C13H10F2O5S.C13H16F2O5S.C10H10F2O6S.C9H14F2O5S.C9H8F2O5S.C9H16F2O5S.C8H12F2O5S.C8H14F2O5S.C7H12F2O5S.2C6H10F2O5S.C5H8F2O5S.C4H6F2O5S/c18-17(19,25(21,22)23)10-24-16(20)15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;16-15(17,23(19,20)21)10-22-14(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;14-13(15,21(17,18)19)6-20-12(16)11-9-2-7-1-8(4-9)5-10(11)3-7;14-13(15,21(17,18)19)8-20-12(16)11-7-3-5-9-4-1-2-6-10(9)11;14-13(15,21(17,18)19)8-20-12(16)11-6-5-9-3-1-2-4-10(9)7-11;1-12(2,3)10-6-4-9(5-7-10)11(16)20-8-13(14,15)21(17,18)19;1-17-8-4-2-7(3-5-8)9(13)18-6-10(11,12)19(14,15)16;2*10-9(11,17(13,14)15)6-16-8(12)7-4-2-1-3-5-7;1-2-3-4-5-6-8(12)16-7-9(10,11)17(13,14)15;9-8(10,16(12,13)14)5-15-7(11)6-3-1-2-4-6;1-2-3-4-5-7(11)15-6-8(9,10)16(12,13)14;1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-4(2)5(9)13-3-6(7,8)14(10,11)12;1-2-3-5(9)13-4-6(7,8)14(10,11)12;1-2-4(8)12-3-5(6,7)13(9,10)11;1-3(7)11-2-4(5,6)12(8,9)10/h1-9H,10H2,(H,21,22,23);1-9H,10H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);7-11H,1-6H2,(H,17,18,19);2*1-7H,8H2,(H,17,18,19);4-7H,8H2,1-3H3,(H,17,18,19);2-5H,6H2,1H3,(H,14,15,16);7H,1-6H2,(H,13,14,15);1-5H,6H2,(H,13,14,15);2-7H2,1H3,(H,13,14,15);6H,1-5H2,(H,12,13,14);2-6H2,1H3,(H,12,13,14);4H2,1-3H3,(H,11,12,13);4H,3H2,1-2H3,(H,10,11,12);2-4H2,1H3,(H,10,11,12);2-3H2,1H3,(H,9,10,11);2H2,1H3,(H,8,9,10)/p-18
InChIKeyRFSQQFOMZGYABM-UHFFFAOYSA-A
XLogP24.34
TPSA1512.23 Ų
H-Bond Donors
H-Bond Acceptors91
Rotatable Bonds80
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005054.59
LogP ≤ 524.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1091

Analyze 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate?
The IUPAC name of 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate (CID 160613075) is 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate.
What is the SMILES notation for 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate?
The canonical SMILES for 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate is CC(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)c1ccc(C(=O)OCC(F)(F)S(=O)(=O)[O-])cc1.CC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CCCCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].COc1ccc(C(=O)OCC(F)(F)S(=O)(=O)[O-])cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3CC(C2)CC1C3.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1cccc2ccccc12.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1.
What is the InChIKey of 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate?
The InChIKey is RFSQQFOMZGYABM-UHFFFAOYSA-A. The full InChI is InChI=1S/C17H12F2O5S.C15H12F2O5S.2C13H18F2O5S.2C13H10F2O5S.C13H16F2O5S.C10H10F2O6S.C9H14F2O5S.C9H8F2O5S.C9H16F2O5S.C8H12F2O5S.C8H14F2O5S.C7H12F2O5S.2C6H10F2O5S.C5H8F2O5S.C4H6F2O5S/c18-17(19,25(21,22)23)10-24-16(20)15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;16-15(17,23(19,20)21)10-22-14(18)13-8-6-12(7-9-13)11-4-2-1-3-5-11;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;14-13(15,21(17,18)19)6-20-12(16)11-9-2-7-1-8(4-9)5-10(11)3-7;14-13(15,21(17,18)19)8-20-12(16)11-7-3-5-9-4-1-2-6-10(9)11;14-13(15,21(17,18)19)8-20-12(16)11-6-5-9-3-1-2-4-10(9)7-11;1-12(2,3)10-6-4-9(5-7-10)11(16)20-8-13(14,15)21(17,18)19;1-17-8-4-2-7(3-5-8)9(13)18-6-10(11,12)19(14,15)16;2*10-9(11,17(13,14)15)6-16-8(12)7-4-2-1-3-5-7;1-2-3-4-5-6-8(12)16-7-9(10,11)17(13,14)15;9-8(10,16(12,13)14)5-15-7(11)6-3-1-2-4-6;1-2-3-4-5-7(11)15-6-8(9,10)16(12,13)14;1-6(2,3)5(10)14-4-7(8,9)15(11,12)13;1-4(2)5(9)13-3-6(7,8)14(10,11)12;1-2-3-5(9)13-4-6(7,8)14(10,11)12;1-2-4(8)12-3-5(6,7)13(9,10)11;1-3(7)11-2-4(5,6)12(8,9)10/h1-9H,10H2,(H,21,22,23);1-9H,10H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);7-11H,1-6H2,(H,17,18,19);2*1-7H,8H2,(H,17,18,19);4-7H,8H2,1-3H3,(H,17,18,19);2-5H,6H2,1H3,(H,14,15,16);7H,1-6H2,(H,13,14,15);1-5H,6H2,(H,13,14,15);2-7H2,1H3,(H,13,14,15);6H,1-5H2,(H,12,13,14);2-6H2,1H3,(H,12,13,14);4H2,1-3H3,(H,11,12,13);4H,3H2,1-2H3,(H,10,11,12);2-4H2,1H3,(H,10,11,12);2-3H2,1H3,(H,9,10,11);2H2,1H3,(H,8,9,10)/p-18.
What are the key properties of 2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate?
2-acetyloxy-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate has a molecular weight of 5054.59 g/mol, XLogP of 24.34, 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-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-2-carbonyloxy)-1,1-difluoroethanesulfonate;2-(anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonate;2-benzoyloxy-1,1-difluoroethanesulfonate;2-butanoyloxy-1,1-difluoroethanesulfonate;2-(4-tert-butylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;2-(cyclopentanecarbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-heptanoyloxyethanesulfonate;1,1-difluoro-2-hexanoyloxyethanesulfonate;1,1-difluoro-2-(4-methoxybenzoyl)oxyethanesulfonate;1,1-difluoro-2-(2-methylpropanoyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)ethanesulfonate;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-propanoyloxyethanesulfonate;2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate is sourced from PubChem (CID 160613075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).