2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

C124H166F26O44S9 — CID 159174390

IUPAC2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESC.C.CC(C)(C(F)F)C1CC2CCC1C2.CC(C)(C(F)F)C1CCCCC1.CC(C)c1cc(C(C)C)c(C(=O)OCCC(F)(F)C(F)F)c(C(C)C)c1.CC12CC3CC(O)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)O)(C3)C2.FC(F)(F)C(CC1CC2CCC1C2)C(F)(F)F.O=C(COC(=O)C(F)(F)S(=O)(=O)O)OC1C2CC3C(=O)OC1C3C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(OCCC(F)(F)C(F)F)c1c2ccccc2cc2ccccc12.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C20H28F4O2.C19H14F4O2.C14H20F2O6S.C13H18F2O5S.C12H12F2O9S.C12H16F2O5S.C11H14F6.C11H18F2.C10H18F2.2CH4.5O3S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)18(25)26-8-7-20(23,24)19(21)22;20-18(21)19(22,23)9-10-25-17(24)16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16;1-11-2-9-3-12(5-11,7-13(18,4-9)6-11)8-22-10(17)14(15,16)23(19,20)21;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,24(18,19)20)11(17)21-3-7(15)22-8-4-1-5-6(2-4)10(16)23-9(5)8;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;12-10(13,14)9(11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-11(2,10(12)13)9-6-7-3-4-8(9)5-7;1-10(2,9(11)12)8-6-4-3-5-7-8;;;5*1-4(2)3/h9-13,19H,7-8H2,1-6H3;1-8,11,18H,9-10H2;9,18H,2-8H2,1H3,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);4-6,8-9H,1-3H2,(H,18,19,20);6-10H,1-5H2,(H,16,17,18);6-9H,1-5H2;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;2*1H4;;;;;
InChIKeyKMCDTDGSUJLZLX-UHFFFAOYSA-N
MW3143.20 g/mol
LogP25.62
Rot. Bonds35

About 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane

2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (PubChem CID 159174390) has the molecular formula C124H166F26O44S9 and a molecular weight of 3143.20 g/mol. Its IUPAC name is 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
PubChem CID159174390
Molecular FormulaC124H166F26O44S9
Molecular Weight3143.20 g/mol
Exact Mass3140.78
IUPAC Name2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
SMILESC.C.CC(C)(C(F)F)C1CC2CCC1C2.CC(C)(C(F)F)C1CCCCC1.CC(C)c1cc(C(C)C)c(C(=O)OCCC(F)(F)C(F)F)c(C(C)C)c1.CC12CC3CC(O)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)O)(C3)C2.FC(F)(F)C(CC1CC2CCC1C2)C(F)(F)F.O=C(COC(=O)C(F)(F)S(=O)(=O)O)OC1C2CC3C(=O)OC1C3C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(OCCC(F)(F)C(F)F)c1c2ccccc2cc2ccccc12.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C20H28F4O2.C19H14F4O2.C14H20F2O6S.C13H18F2O5S.C12H12F2O9S.C12H16F2O5S.C11H14F6.C11H18F2.C10H18F2.2CH4.5O3S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)18(25)26-8-7-20(23,24)19(21)22;20-18(21)19(22,23)9-10-25-17(24)16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16;1-11-2-9-3-12(5-11,7-13(18,4-9)6-11)8-22-10(17)14(15,16)23(19,20)21;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,24(18,19)20)11(17)21-3-7(15)22-8-4-1-5-6(2-4)10(16)23-9(5)8;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;12-10(13,14)9(11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-11(2,10(12)13)9-6-7-3-4-8(9)5-7;1-10(2,9(11)12)8-6-4-3-5-7-8;;;5*1-4(2)3/h9-13,19H,7-8H2,1-6H3;1-8,11,18H,9-10H2;9,18H,2-8H2,1H3,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);4-6,8-9H,1-3H2,(H,18,19,20);6-10H,1-5H2,(H,16,17,18);6-9H,1-5H2;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;2*1H4;;;;;
InChIKeyKMCDTDGSUJLZLX-UHFFFAOYSA-N
XLogP25.62
TPSA704.16 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003143.20
LogP ≤ 525.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane (CID 159174390) is 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is C.C.CC(C)(C(F)F)C1CC2CCC1C2.CC(C)(C(F)F)C1CCCCC1.CC(C)c1cc(C(C)C)c(C(=O)OCCC(F)(F)C(F)F)c(C(C)C)c1.CC12CC3CC(O)(C1)CC(COC(=O)C(F)(F)S(=O)(=O)O)(C3)C2.FC(F)(F)C(CC1CC2CCC1C2)C(F)(F)F.O=C(COC(=O)C(F)(F)S(=O)(=O)O)OC1C2CC3C(=O)OC1C3C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(OCCC(F)(F)C(F)F)c1c2ccccc2cc2ccccc12.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
The InChIKey is KMCDTDGSUJLZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F4O2.C19H14F4O2.C14H20F2O6S.C13H18F2O5S.C12H12F2O9S.C12H16F2O5S.C11H14F6.C11H18F2.C10H18F2.2CH4.5O3S/c1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)18(25)26-8-7-20(23,24)19(21)22;20-18(21)19(22,23)9-10-25-17(24)16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16;1-11-2-9-3-12(5-11,7-13(18,4-9)6-11)8-22-10(17)14(15,16)23(19,20)21;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,24(18,19)20)11(17)21-3-7(15)22-8-4-1-5-6(2-4)10(16)23-9(5)8;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;12-10(13,14)9(11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-11(2,10(12)13)9-6-7-3-4-8(9)5-7;1-10(2,9(11)12)8-6-4-3-5-7-8;;;5*1-4(2)3/h9-13,19H,7-8H2,1-6H3;1-8,11,18H,9-10H2;9,18H,2-8H2,1H3,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);4-6,8-9H,1-3H2,(H,18,19,20);6-10H,1-5H2,(H,16,17,18);6-9H,1-5H2;7-10H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;2*1H4;;;;;.
What are the key properties of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane?
2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane has a molecular weight of 3143.20 g/mol, XLogP of 25.62, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-[(3-hydroxy-5-methyl-1-adamantyl)methoxy]-2-oxoethanesulfonic acid;2-(1,1-difluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane;(1,1-difluoro-2-methylpropan-2-yl)cyclohexane;1,1-difluoro-2-oxo-2-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethanesulfonic acid;methane;pentakis(sulfur trioxide);3,3,4,4-tetrafluorobutyl anthracene-9-carboxylate;3,3,4,4-tetrafluorobutyl 2,4,6-tri(propan-2-yl)benzoate;2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 159174390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).