2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

C104H130F20O54S10-10 — CID 165009391

IUPAC2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESC=C(C)C1CC=C(COC(=O)C(F)(F)SOO[O-])CC1.CC1(C)C2CC=C(CCOC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)C2CC=C(COC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)C2CCC(COC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)COC(=O)C1OC(=O)C(F)(F)SOO[O-].CC1C2CCC(C2)C1COC(=O)C(F)(F)SOO[O-].CC1CC=CCC1COC(=O)C(F)(F)SOO[O-].O=C(OCC1CC2C=CC1C2)C(F)(F)SOO[O-].O=C(OCC1CC2CCC1C2)C(F)(F)SOO[O-].O=C1OCCC1OC(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C13H18F2O5S.C12H18F2O5S.2C12H16F2O5S.C11H16F2O5S.C10H14F2O5S.C10H12F2O5S.C10H14F2O5S.C8H10F2O7S.C6H6F2O7S/c1-12(2)9-4-3-8(10(12)7-9)5-6-18-11(16)13(14,15)21-20-19-17;2*1-11(2)8-4-3-7(9(11)5-8)6-17-10(15)12(13,14)20-19-18-16;1-8(2)10-5-3-9(4-6-10)7-17-11(15)12(13,14)20-19-18-16;1-6-7-2-3-8(4-7)9(6)5-16-10(14)11(12,13)19-18-17-15;2*11-10(12,18-17-16-14)9(13)15-5-8-4-6-1-2-7(8)3-6;1-7-4-2-3-5-8(7)6-15-9(13)10(11,12)18-17-16-14;1-7(2)3-14-5(11)4(7)15-6(12)8(9,10)18-17-16-13;7-6(8,16-15-14-11)5(10)13-3-1-2-12-4(3)9/h3,9-10,17H,4-7H2,1-2H3;7-9,16H,3-6H2,1-2H3;3,8-9,16H,4-6H2,1-2H3;3,10,16H,1,4-7H2,2H3;6-9,15H,2-5H2,1H3;6-8,14H,1-5H2;1-2,6-8,14H,3-5H2;2-3,7-8,14H,4-6H2,1H3;4,13H,3H2,1-2H3;3,11H,1-2H2/p-10
InChIKeyJLRMQLNQMDXOFR-UHFFFAOYSA-D
MW2944.76 g/mol
LogP13.89
Rot. Bonds60

About 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 165009391) has the molecular formula C104H130F20O54S10-10 and a molecular weight of 2944.76 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
PubChem CID165009391
Molecular FormulaC104H130F20O54S10-10
Molecular Weight2944.76 g/mol
Exact Mass2942.44
IUPAC Name2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESC=C(C)C1CC=C(COC(=O)C(F)(F)SOO[O-])CC1.CC1(C)C2CC=C(CCOC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)C2CC=C(COC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)C2CCC(COC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)COC(=O)C1OC(=O)C(F)(F)SOO[O-].CC1C2CCC(C2)C1COC(=O)C(F)(F)SOO[O-].CC1CC=CCC1COC(=O)C(F)(F)SOO[O-].O=C(OCC1CC2C=CC1C2)C(F)(F)SOO[O-].O=C(OCC1CC2CCC1C2)C(F)(F)SOO[O-].O=C1OCCC1OC(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C13H18F2O5S.C12H18F2O5S.2C12H16F2O5S.C11H16F2O5S.C10H14F2O5S.C10H12F2O5S.C10H14F2O5S.C8H10F2O7S.C6H6F2O7S/c1-12(2)9-4-3-8(10(12)7-9)5-6-18-11(16)13(14,15)21-20-19-17;2*1-11(2)8-4-3-7(9(11)5-8)6-17-10(15)12(13,14)20-19-18-16;1-8(2)10-5-3-9(4-6-10)7-17-11(15)12(13,14)20-19-18-16;1-6-7-2-3-8(4-7)9(6)5-16-10(14)11(12,13)19-18-17-15;2*11-10(12,18-17-16-14)9(13)15-5-8-4-6-1-2-7(8)3-6;1-7-4-2-3-5-8(7)6-15-9(13)10(11,12)18-17-16-14;1-7(2)3-14-5(11)4(7)15-6(12)8(9,10)18-17-16-13;7-6(8,16-15-14-11)5(10)13-3-1-2-12-4(3)9/h3,9-10,17H,4-7H2,1-2H3;7-9,16H,3-6H2,1-2H3;3,8-9,16H,4-6H2,1-2H3;3,10,16H,1,4-7H2,2H3;6-9,15H,2-5H2,1H3;6-8,14H,1-5H2;1-2,6-8,14H,3-5H2;2-3,7-8,14H,4-6H2,1H3;4,13H,3H2,1-2H3;3,11H,1-2H2/p-10
InChIKeyJLRMQLNQMDXOFR-UHFFFAOYSA-D
XLogP13.89
TPSA730.80 Ų
H-Bond Donors
H-Bond Acceptors64
Rotatable Bonds60
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002944.76
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 165009391) is 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is C=C(C)C1CC=C(COC(=O)C(F)(F)SOO[O-])CC1.CC1(C)C2CC=C(CCOC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)C2CC=C(COC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)C2CCC(COC(=O)C(F)(F)SOO[O-])C1C2.CC1(C)COC(=O)C1OC(=O)C(F)(F)SOO[O-].CC1C2CCC(C2)C1COC(=O)C(F)(F)SOO[O-].CC1CC=CCC1COC(=O)C(F)(F)SOO[O-].O=C(OCC1CC2C=CC1C2)C(F)(F)SOO[O-].O=C(OCC1CC2CCC1C2)C(F)(F)SOO[O-].O=C1OCCC1OC(=O)C(F)(F)SOO[O-].
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The InChIKey is JLRMQLNQMDXOFR-UHFFFAOYSA-D. The full InChI is InChI=1S/C13H18F2O5S.C12H18F2O5S.2C12H16F2O5S.C11H16F2O5S.C10H14F2O5S.C10H12F2O5S.C10H14F2O5S.C8H10F2O7S.C6H6F2O7S/c1-12(2)9-4-3-8(10(12)7-9)5-6-18-11(16)13(14,15)21-20-19-17;2*1-11(2)8-4-3-7(9(11)5-8)6-17-10(15)12(13,14)20-19-18-16;1-8(2)10-5-3-9(4-6-10)7-17-11(15)12(13,14)20-19-18-16;1-6-7-2-3-8(4-7)9(6)5-16-10(14)11(12,13)19-18-17-15;2*11-10(12,18-17-16-14)9(13)15-5-8-4-6-1-2-7(8)3-6;1-7-4-2-3-5-8(7)6-15-9(13)10(11,12)18-17-16-14;1-7(2)3-14-5(11)4(7)15-6(12)8(9,10)18-17-16-13;7-6(8,16-15-14-11)5(10)13-3-1-2-12-4(3)9/h3,9-10,17H,4-7H2,1-2H3;7-9,16H,3-6H2,1-2H3;3,8-9,16H,4-6H2,1-2H3;3,10,16H,1,4-7H2,2H3;6-9,15H,2-5H2,1H3;6-8,14H,1-5H2;1-2,6-8,14H,3-5H2;2-3,7-8,14H,4-6H2,1H3;4,13H,3H2,1-2H3;3,11H,1-2H2/p-10.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 2944.76 g/mol, XLogP of 13.89, 60 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]hept-5-enylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6-methylcyclohex-3-en-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxooxolan-3-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 165009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).