3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate

C119H163F10NO39S11-10 — CID 159443739

IUPAC3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.Cc1ccc(S(=O)(=O)[O-])cc1.O=C(OCCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OCCS(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)S(=O)(=O)N1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1ccccc1
InChIInChI=1S/C24H36O3S.C15H24O3S.C14H20F2O5S.C13H18O6S.C13H20O5S.C12H18F2O3S.C9H12F4O3S.C7H8O3S.C6H11F2NO5S2.C6H6O3S/c25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;15-14(16,22(18,19)20)1-2-21-12(17)13-6-9-3-10(7-13)5-11(4-9)8-13;14-11-9-3-8-4-10(11)7-13(5-8,6-9)12(15)19-1-2-20(16,17)18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)11(8,9)10;7-6(8,16(12,13)14)15(10,11)9-4-2-1-3-5-9;7-10(8,9)6-4-2-1-3-5-6/h16-20H,1-15H2,(H,25,26,27);7-11H,1-6H3,(H,16,17,18);9-11H,1-8H2,(H,18,19,20);8-10H,1-7H2,(H,16,17,18);9-11H,1-8H2,(H,15,16,17);8-10H,1-7H2,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);2-5H,1H3,(H,8,9,10);1-5H2,(H,12,13,14);1-5H,(H,7,8,9)/p-10
InChIKeyZKBQMWBHKJZVBH-UHFFFAOYSA-D
MW2774.30 g/mol
LogP21.04
Rot. Bonds32

About 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate

3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate (PubChem CID 159443739) has the molecular formula C119H163F10NO39S11-10 and a molecular weight of 2774.30 g/mol. Its IUPAC name is 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate.

Molecular Properties

Compound Name3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate
PubChem CID159443739
Molecular FormulaC119H163F10NO39S11-10
Molecular Weight2774.30 g/mol
Exact Mass2771.76
IUPAC Name3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.Cc1ccc(S(=O)(=O)[O-])cc1.O=C(OCCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OCCS(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)S(=O)(=O)N1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1ccccc1
InChIInChI=1S/C24H36O3S.C15H24O3S.C14H20F2O5S.C13H18O6S.C13H20O5S.C12H18F2O3S.C9H12F4O3S.C7H8O3S.C6H11F2NO5S2.C6H6O3S/c25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;15-14(16,22(18,19)20)1-2-21-12(17)13-6-9-3-10(7-13)5-11(4-9)8-13;14-11-9-3-8-4-10(11)7-13(5-8,6-9)12(15)19-1-2-20(16,17)18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)11(8,9)10;7-6(8,16(12,13)14)15(10,11)9-4-2-1-3-5-9;7-10(8,9)6-4-2-1-3-5-6/h16-20H,1-15H2,(H,25,26,27);7-11H,1-6H3,(H,16,17,18);9-11H,1-8H2,(H,18,19,20);8-10H,1-7H2,(H,16,17,18);9-11H,1-8H2,(H,15,16,17);8-10H,1-7H2,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);2-5H,1H3,(H,8,9,10);1-5H2,(H,12,13,14);1-5H,(H,7,8,9)/p-10
InChIKeyZKBQMWBHKJZVBH-UHFFFAOYSA-D
XLogP21.04
TPSA705.35 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds32
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002774.30
LogP ≤ 521.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate with MolForge

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Related Compounds

2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinate;2,4,6-tricyclohexylbenzenesulfinate;tris(triphenylsulfanium)
CID 157213011
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)
CID 158189175
3-(Adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;3-(adamantane-1-carbonyloxy)propane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate
CID 158196328
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;fluoromethanesulfonate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,2,2,2-tetrafluoroethyl 4-oxoadamantane-1-carboxylate;2,4,6-tricyclohexylbenzenesulfonate;tetrakis(triphenylsulfanium)
CID 158821432
(4-tert-butylphenyl)-diphenylsulfanium;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;bis(triphenylsulfanium)
CID 159977838
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;tetrakis(triphenylsulfanium)
CID 160465570
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)
CID 160724178
2-(Adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonic acid;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-cyclohexyl-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonic acid;2,4,6-tricyclohexylbenzenesulfonic acid;hexakis(triphenylsulfanium);2,4,6-tri(propan-2-yl)benzenesulfonic acid
CID 161727609
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonate;pentakis(triphenylsulfanium)
CID 161770172
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-[1,1,2,2,3,3-hexafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)
CID 162039137
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;3-(1-adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;tris(triphenylsulfanium)
CID 163944004
(4-Tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)ethanesulfonate;2-(cyclopentanecarbonyloxy)ethanesulfonate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;(4-methylphenyl)-diphenylsulfanium;2-(4-oxocyclohexanecarbonyl)oxyethanesulfonate;3-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;tetrabutylazanium;bis(triphenylsulfanium)
CID 160109353

Frequently Asked Questions

What is the IUPAC name of 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate?
The IUPAC name of 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate (CID 159443739) is 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate.
What is the SMILES notation for 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate?
The canonical SMILES for 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate is CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.Cc1ccc(S(=O)(=O)[O-])cc1.O=C(OCCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OCCS(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)S(=O)(=O)N1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1ccccc1.
What is the InChIKey of 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate?
The InChIKey is ZKBQMWBHKJZVBH-UHFFFAOYSA-D. The full InChI is InChI=1S/C24H36O3S.C15H24O3S.C14H20F2O5S.C13H18O6S.C13H20O5S.C12H18F2O3S.C9H12F4O3S.C7H8O3S.C6H11F2NO5S2.C6H6O3S/c25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;15-14(16,22(18,19)20)1-2-21-12(17)13-6-9-3-10(7-13)5-11(4-9)8-13;14-11-9-3-8-4-10(11)7-13(5-8,6-9)12(15)19-1-2-20(16,17)18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-6-2-4-7(5-3-6)11(8,9)10;7-6(8,16(12,13)14)15(10,11)9-4-2-1-3-5-9;7-10(8,9)6-4-2-1-3-5-6/h16-20H,1-15H2,(H,25,26,27);7-11H,1-6H3,(H,16,17,18);9-11H,1-8H2,(H,18,19,20);8-10H,1-7H2,(H,16,17,18);9-11H,1-8H2,(H,15,16,17);8-10H,1-7H2,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);2-5H,1H3,(H,8,9,10);1-5H2,(H,12,13,14);1-5H,(H,7,8,9)/p-10.
What are the key properties of 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate?
3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate has a molecular weight of 2774.30 g/mol, XLogP of 21.04, 32 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzenesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;difluoro(piperidin-1-ylsulfonyl)methanesulfonate;4-methylbenzenesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate is sourced from PubChem (CID 159443739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).