[2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate

C115H168F22NO85S11-11 — CID 158438854

IUPAC[2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCCCCCCCCCCCCCCCCCCCCOC(=O)COC(=O)C(F)(F)SOO[O-].CCCCCCCCCCCOC(=O)COC(=O)C(F)(F)SOO[O-].CCOC(=O)COC(=O)C(F)(F)SOO[O-].COCCOC(=O)COC(=O)C(F)(F)SOO[O-].COCCOCCOC(=O)COC(=O)C(F)(F)SOO[O-].N#CCCOC(=O)COC(=O)C(F)(F)SOO[O-].O=C(COC(=O)C(F)(F)SOO[O-])OC1CCCC1.O=C(COC(=O)C(F)(F)SOO[O-])OC1CCCCC1.O=C(COC(=O)C(F)(F)SOO[O-])OCCCCCCCCO.O=C(COC(=O)C(F)(F)SOO[O-])OCCO.O=C(COC(=O)C(F)(F)SOO[O-])OCCOCCOCCO
InChIInChI=1S/C24H44F2O7S.C15H26F2O7S.C12H20F2O8S.C10H16F2O10S.C10H14F2O7S.C9H14F2O9S.C9H12F2O7S.C7H7F2NO7S.C7H10F2O8S.C6H8F2O8S.C6H8F2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-22(27)21-31-23(28)24(25,26)34-33-32-29;1-2-3-4-5-6-7-8-9-10-11-21-13(18)12-22-14(19)15(16,17)25-24-23-20;13-12(14,23-22-21-18)11(17)20-9-10(16)19-8-6-4-2-1-3-5-7-15;11-10(12,23-22-21-16)9(15)20-7-8(14)19-6-5-18-4-3-17-2-1-13;11-10(12,20-19-18-15)9(14)16-6-8(13)17-7-4-2-1-3-5-7;1-15-2-3-16-4-5-17-7(12)6-18-8(13)9(10,11)21-20-19-14;10-9(11,19-18-17-14)8(13)15-5-7(12)16-6-3-1-2-4-6;8-7(9,18-17-16-13)6(12)15-4-5(11)14-3-1-2-10;1-13-2-3-14-5(10)4-15-6(11)7(8,9)18-17-16-12;7-6(8,17-16-15-12)5(11)14-3-4(10)13-2-1-9;1-2-12-4(9)3-13-5(10)6(7,8)16-15-14-11/h29H,2-21H2,1H3;20H,2-12H2,1H3;15,18H,1-9H2;13,16H,1-7H2;7,15H,1-6H2;14H,2-6H2,1H3;6,14H,1-5H2;13H,1,3-4H2;12H,2-4H2,1H3;9,12H,1-3H2;11H,2-3H2,1H3/p-11
InChIKeyHCOJDSALFVFSQD-UHFFFAOYSA-C
MW3695.22 g/mol
LogP6.35
Rot. Bonds127

About [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate

[2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 158438854) has the molecular formula C115H168F22NO85S11-11 and a molecular weight of 3695.22 g/mol. Its IUPAC name is [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

Compound Name[2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
PubChem CID158438854
Molecular FormulaC115H168F22NO85S11-11
Molecular Weight3695.22 g/mol
Exact Mass3692.55
IUPAC Name[2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCCCCCCCCCCCCCCCCCCCCOC(=O)COC(=O)C(F)(F)SOO[O-].CCCCCCCCCCCOC(=O)COC(=O)C(F)(F)SOO[O-].CCOC(=O)COC(=O)C(F)(F)SOO[O-].COCCOC(=O)COC(=O)C(F)(F)SOO[O-].COCCOCCOC(=O)COC(=O)C(F)(F)SOO[O-].N#CCCOC(=O)COC(=O)C(F)(F)SOO[O-].O=C(COC(=O)C(F)(F)SOO[O-])OC1CCCC1.O=C(COC(=O)C(F)(F)SOO[O-])OC1CCCCC1.O=C(COC(=O)C(F)(F)SOO[O-])OCCCCCCCCO.O=C(COC(=O)C(F)(F)SOO[O-])OCCO.O=C(COC(=O)C(F)(F)SOO[O-])OCCOCCOCCO
InChIInChI=1S/C24H44F2O7S.C15H26F2O7S.C12H20F2O8S.C10H16F2O10S.C10H14F2O7S.C9H14F2O9S.C9H12F2O7S.C7H7F2NO7S.C7H10F2O8S.C6H8F2O8S.C6H8F2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-22(27)21-31-23(28)24(25,26)34-33-32-29;1-2-3-4-5-6-7-8-9-10-11-21-13(18)12-22-14(19)15(16,17)25-24-23-20;13-12(14,23-22-21-18)11(17)20-9-10(16)19-8-6-4-2-1-3-5-7-15;11-10(12,23-22-21-16)9(15)20-7-8(14)19-6-5-18-4-3-17-2-1-13;11-10(12,20-19-18-15)9(14)16-6-8(13)17-7-4-2-1-3-5-7;1-15-2-3-16-4-5-17-7(12)6-18-8(13)9(10,11)21-20-19-14;10-9(11,19-18-17-14)8(13)15-5-7(12)16-6-3-1-2-4-6;8-7(9,18-17-16-13)6(12)15-4-5(11)14-3-1-2-10;1-13-2-3-14-5(10)4-15-6(11)7(8,9)18-17-16-12;7-6(8,17-16-15-12)5(11)14-3-4(10)13-2-1-9;1-2-12-4(9)3-13-5(10)6(7,8)16-15-14-11/h29H,2-21H2,1H3;20H,2-12H2,1H3;15,18H,1-9H2;13,16H,1-7H2;7,15H,1-6H2;14H,2-6H2,1H3;6,14H,1-5H2;13H,1,3-4H2;12H,2-4H2,1H3;9,12H,1-3H2;11H,2-3H2,1H3/p-11
InChIKeyHCOJDSALFVFSQD-UHFFFAOYSA-C
XLogP6.35
TPSA1165.95 Ų
H-Bond Donors3
H-Bond Acceptors97
Rotatable Bonds127
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003695.22
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1097

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The IUPAC name of [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 158438854) is [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate.
What is the SMILES notation for [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The canonical SMILES for [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate is CCCCCCCCCCCCCCCCCCCCOC(=O)COC(=O)C(F)(F)SOO[O-].CCCCCCCCCCCOC(=O)COC(=O)C(F)(F)SOO[O-].CCOC(=O)COC(=O)C(F)(F)SOO[O-].COCCOC(=O)COC(=O)C(F)(F)SOO[O-].COCCOCCOC(=O)COC(=O)C(F)(F)SOO[O-].N#CCCOC(=O)COC(=O)C(F)(F)SOO[O-].O=C(COC(=O)C(F)(F)SOO[O-])OC1CCCC1.O=C(COC(=O)C(F)(F)SOO[O-])OC1CCCCC1.O=C(COC(=O)C(F)(F)SOO[O-])OCCCCCCCCO.O=C(COC(=O)C(F)(F)SOO[O-])OCCO.O=C(COC(=O)C(F)(F)SOO[O-])OCCOCCOCCO.
What is the InChIKey of [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The InChIKey is HCOJDSALFVFSQD-UHFFFAOYSA-C. The full InChI is InChI=1S/C24H44F2O7S.C15H26F2O7S.C12H20F2O8S.C10H16F2O10S.C10H14F2O7S.C9H14F2O9S.C9H12F2O7S.C7H7F2NO7S.C7H10F2O8S.C6H8F2O8S.C6H8F2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-22(27)21-31-23(28)24(25,26)34-33-32-29;1-2-3-4-5-6-7-8-9-10-11-21-13(18)12-22-14(19)15(16,17)25-24-23-20;13-12(14,23-22-21-18)11(17)20-9-10(16)19-8-6-4-2-1-3-5-7-15;11-10(12,23-22-21-16)9(15)20-7-8(14)19-6-5-18-4-3-17-2-1-13;11-10(12,20-19-18-15)9(14)16-6-8(13)17-7-4-2-1-3-5-7;1-15-2-3-16-4-5-17-7(12)6-18-8(13)9(10,11)21-20-19-14;10-9(11,19-18-17-14)8(13)15-5-7(12)16-6-3-1-2-4-6;8-7(9,18-17-16-13)6(12)15-4-5(11)14-3-1-2-10;1-13-2-3-14-5(10)4-15-6(11)7(8,9)18-17-16-12;7-6(8,17-16-15-12)5(11)14-3-4(10)13-2-1-9;1-2-12-4(9)3-13-5(10)6(7,8)16-15-14-11/h29H,2-21H2,1H3;20H,2-12H2,1H3;15,18H,1-9H2;13,16H,1-7H2;7,15H,1-6H2;14H,2-6H2,1H3;6,14H,1-5H2;13H,1,3-4H2;12H,2-4H2,1H3;9,12H,1-3H2;11H,2-3H2,1H3/p-11.
What are the key properties of [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
[2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 3695.22 g/mol, XLogP of 6.35, 127 rotatable bonds, 3 hydrogen bond donors, and 97 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-ethoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-hydroxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(8-hydroxyoctoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-icosoxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-[2-(2-methoxyethoxy)ethoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-methoxyethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-undecoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 158438854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).