1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate

C168H222F32O80S16-16 — CID 162170703

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C(F)(F)SOO[O-])C2.CC1(OC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.CC12CCC(C1)C(C)(C)C2OC(=O)C(F)(F)SOO[O-].O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)SOO[O-].O=C(OC1CC2CC1C1C3CCC(C3)C21)C(F)(F)SOO[O-].O=C(OC1CC2CC1C1CCCC21)C(F)(F)SOO[O-].O=C(OC1CC2CCC1C2)C(F)(F)SOO[O-].O=C(OC1CC2CCC1C2)C(F)(F)SOO[O-].O=C(OC1CCC1)C(F)(F)SOO[O-].O=C(OC1CCC2CCCC2C1)C(F)(F)SOO[O-].O=C(OC1CCC2CCCCC2C1)C(F)(F)SOO[O-].O=C(OC1CCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCCCC1)C(F)(F)SOO[O-]
InChIInChI=1S/C14H18F2O5S.C13H18F2O5S.3C12H16F2O5S.3C12H18F2O5S.C11H16F2O5S.C10H16F2O5S.2C9H12F2O5S.C9H14F2O5S.C8H12F2O5S.C7H10F2O5S.C6H8F2O5S/c15-14(16,22-21-20-18)13(17)19-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-12(18-11(16)13(14,15)21-20-19-17)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20-19-18-16)10(15)17-11-4-7-1-8(5-11)3-9(2-7)6-11;13-12(14,20-19-18-16)11(15)17-10-8-2-6-1-7(4-8)5-9(10)3-6;13-12(14,20-19-18-16)11(15)17-10-5-6-4-9(10)8-3-1-2-7(6)8;1-10(2)7-4-5-11(3,6-7)8(10)17-9(15)12(13,14)20-19-18-16;1-10(2)7-4-5-11(10,3)8(6-7)17-9(15)12(13,14)20-19-18-16;13-12(14,20-19-18-16)11(15)17-10-6-5-8-3-1-2-4-9(8)7-10;12-11(13,19-18-17-15)10(14)16-9-5-4-7-2-1-3-8(7)6-9;11-10(12,18-17-16-14)9(13)15-8-6-4-2-1-3-5-7-8;2*10-9(11,17-16-15-13)8(12)14-7-4-5-1-2-6(7)3-5;10-9(11,17-16-15-13)8(12)14-7-5-3-1-2-4-6-7;9-8(10,16-15-14-12)7(11)13-6-4-2-1-3-5-6;8-7(9,15-14-13-11)6(10)12-5-3-1-2-4-5;7-6(8,14-13-12-10)5(9)11-4-2-1-3-4/h6-12,18H,1-5H2;7-10,17H,2-6H2,1H3;7-9,16H,1-6H2;2*6-10,16H,1-5H2;2*7-8,16H,4-6H2,1-3H3;8-10,16H,1-7H2;7-9,15H,1-6H2;8,14H,1-7H2;2*5-7,13H,1-4H2;7,13H,1-6H2;6,12H,1-5H2;5,11H,1-4H2;4,10H,1-3H2/p-16
InChIKeyZNTAXXPDXGDBQE-UHFFFAOYSA-A
MW4642.55 g/mol
LogP27.61
Rot. Bonds80

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 162170703) has the molecular formula C168H222F32O80S16-16 and a molecular weight of 4642.55 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
PubChem CID162170703
Molecular FormulaC168H222F32O80S16-16
Molecular Weight4642.55 g/mol
Exact Mass4638.84
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C(F)(F)SOO[O-])C2.CC1(OC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.CC12CCC(C1)C(C)(C)C2OC(=O)C(F)(F)SOO[O-].O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)SOO[O-].O=C(OC1CC2CC1C1C3CCC(C3)C21)C(F)(F)SOO[O-].O=C(OC1CC2CC1C1CCCC21)C(F)(F)SOO[O-].O=C(OC1CC2CCC1C2)C(F)(F)SOO[O-].O=C(OC1CC2CCC1C2)C(F)(F)SOO[O-].O=C(OC1CCC1)C(F)(F)SOO[O-].O=C(OC1CCC2CCCC2C1)C(F)(F)SOO[O-].O=C(OC1CCC2CCCCC2C1)C(F)(F)SOO[O-].O=C(OC1CCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCCCC1)C(F)(F)SOO[O-]
InChIInChI=1S/C14H18F2O5S.C13H18F2O5S.3C12H16F2O5S.3C12H18F2O5S.C11H16F2O5S.C10H16F2O5S.2C9H12F2O5S.C9H14F2O5S.C8H12F2O5S.C7H10F2O5S.C6H8F2O5S/c15-14(16,22-21-20-18)13(17)19-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-12(18-11(16)13(14,15)21-20-19-17)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20-19-18-16)10(15)17-11-4-7-1-8(5-11)3-9(2-7)6-11;13-12(14,20-19-18-16)11(15)17-10-8-2-6-1-7(4-8)5-9(10)3-6;13-12(14,20-19-18-16)11(15)17-10-5-6-4-9(10)8-3-1-2-7(6)8;1-10(2)7-4-5-11(3,6-7)8(10)17-9(15)12(13,14)20-19-18-16;1-10(2)7-4-5-11(10,3)8(6-7)17-9(15)12(13,14)20-19-18-16;13-12(14,20-19-18-16)11(15)17-10-6-5-8-3-1-2-4-9(8)7-10;12-11(13,19-18-17-15)10(14)16-9-5-4-7-2-1-3-8(7)6-9;11-10(12,18-17-16-14)9(13)15-8-6-4-2-1-3-5-7-8;2*10-9(11,17-16-15-13)8(12)14-7-4-5-1-2-6(7)3-5;10-9(11,17-16-15-13)8(12)14-7-5-3-1-2-4-6-7;9-8(10,16-15-14-12)7(11)13-6-4-2-1-3-5-6;8-7(9,15-14-13-11)6(10)12-5-3-1-2-4-5;7-6(8,14-13-12-10)5(9)11-4-2-1-3-4/h6-12,18H,1-5H2;7-10,17H,2-6H2,1H3;7-9,16H,1-6H2;2*6-10,16H,1-5H2;2*7-8,16H,4-6H2,1-3H3;8-10,16H,1-7H2;7-9,15H,1-6H2;8,14H,1-7H2;2*5-7,13H,1-4H2;7,13H,1-6H2;6,12H,1-5H2;5,11H,1-4H2;4,10H,1-3H2/p-16
InChIKeyZNTAXXPDXGDBQE-UHFFFAOYSA-A
XLogP27.61
TPSA1085.12 Ų
H-Bond Donors
H-Bond Acceptors96
Rotatable Bonds80
Heavy Atoms296
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004642.55
LogP ≤ 527.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1096

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 162170703) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate is CC1(C)C2CCC1(C)C(OC(=O)C(F)(F)SOO[O-])C2.CC1(OC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.CC12CCC(C1)C(C)(C)C2OC(=O)C(F)(F)SOO[O-].O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)SOO[O-].O=C(OC1CC2CC1C1C3CCC(C3)C21)C(F)(F)SOO[O-].O=C(OC1CC2CC1C1CCCC21)C(F)(F)SOO[O-].O=C(OC1CC2CCC1C2)C(F)(F)SOO[O-].O=C(OC1CC2CCC1C2)C(F)(F)SOO[O-].O=C(OC1CCC1)C(F)(F)SOO[O-].O=C(OC1CCC2CCCC2C1)C(F)(F)SOO[O-].O=C(OC1CCC2CCCCC2C1)C(F)(F)SOO[O-].O=C(OC1CCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCCC1)C(F)(F)SOO[O-].O=C(OC1CCCCCCC1)C(F)(F)SOO[O-].
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The InChIKey is ZNTAXXPDXGDBQE-UHFFFAOYSA-A. The full InChI is InChI=1S/C14H18F2O5S.C13H18F2O5S.3C12H16F2O5S.3C12H18F2O5S.C11H16F2O5S.C10H16F2O5S.2C9H12F2O5S.C9H14F2O5S.C8H12F2O5S.C7H10F2O5S.C6H8F2O5S/c15-14(16,22-21-20-18)13(17)19-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-12(18-11(16)13(14,15)21-20-19-17)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20-19-18-16)10(15)17-11-4-7-1-8(5-11)3-9(2-7)6-11;13-12(14,20-19-18-16)11(15)17-10-8-2-6-1-7(4-8)5-9(10)3-6;13-12(14,20-19-18-16)11(15)17-10-5-6-4-9(10)8-3-1-2-7(6)8;1-10(2)7-4-5-11(3,6-7)8(10)17-9(15)12(13,14)20-19-18-16;1-10(2)7-4-5-11(10,3)8(6-7)17-9(15)12(13,14)20-19-18-16;13-12(14,20-19-18-16)11(15)17-10-6-5-8-3-1-2-4-9(8)7-10;12-11(13,19-18-17-15)10(14)16-9-5-4-7-2-1-3-8(7)6-9;11-10(12,18-17-16-14)9(13)15-8-6-4-2-1-3-5-7-8;2*10-9(11,17-16-15-13)8(12)14-7-4-5-1-2-6(7)3-5;10-9(11,17-16-15-13)8(12)14-7-5-3-1-2-4-6-7;9-8(10,16-15-14-12)7(11)13-6-4-2-1-3-5-6;8-7(9,15-14-13-11)6(10)12-5-3-1-2-4-5;7-6(8,14-13-12-10)5(9)11-4-2-1-3-4/h6-12,18H,1-5H2;7-10,17H,2-6H2,1H3;7-9,16H,1-6H2;2*6-10,16H,1-5H2;2*7-8,16H,4-6H2,1-3H3;8-10,16H,1-7H2;7-9,15H,1-6H2;8,14H,1-7H2;2*5-7,13H,1-4H2;7,13H,1-6H2;6,12H,1-5H2;5,11H,1-4H2;4,10H,1-3H2/p-16.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 4642.55 g/mol, XLogP of 27.61, 80 rotatable bonds, 0 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 162170703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).