5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)

C347H343F18O81S13+5 — CID 158823503

IUPAC5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)
SMILESCC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COCC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)SOO[O-].O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-]
InChIInChI=1S/3C28H25O5S.3C27H23O4S.3C22H19O3S.2C14H20F2O3.C14H18F2O3.C14H20F2O2.C13H18F2O6S.C13H16F2O3.2C12H12F2O9S.C10H10F2O7S/c3*29-25(32-26-18-15-23-24(16-18)28(30)33-27(23)26)17-31-19-11-13-22(14-12-19)34(20-7-3-1-4-8-20)21-9-5-2-6-10-21;3*28-26-23-16-17-15-22(23)25(31-26)24(17)27(29)30-18-11-13-21(14-12-18)32(19-7-3-1-4-8-19)20-9-5-2-6-10-20;3*23-22-15-18(16-24-22)25-17-11-13-21(14-12-17)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20;1-12(15,16)11(17)19-8-13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-12(15,16)8-19-11(17)13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-13(15,16)7-19-12(18)14-4-8-2-9(5-14)11(17)10(3-8)6-14;1-13(15,16)7-18-8-14-4-9-2-10(5-14)12(17)11(3-9)6-14;14-13(15,22-21-20-18)10(16)19-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;2*13-12(14,24-23-22-18)11(17)19-3-7(15)20-8-4-1-5-6(2-4)10(16)21-9(5)8;11-10(12,20-19-18-15)9(14)17-6-3-1-4-5(2-3)8(13)16-7(4)6/h3*1-14,18,23-24,26-27H,15-17H2;3*1-14,17,22-25H,15-16H2;3*1-14,18H,15-16H2;2*9-10,18H,2-8H2,1H3;8-10H,2-7H2,1H3;9-11H,2-8H2,1H3;8-9,17-18H,1-7H2;7-9H,2-6H2,1H3;2*4-6,8-9,18H,1-3H2;3-7,15H,1-2H2/q9*+1;;;;;;;;;/p-4
InChIKeyIWDWOITYQGEJMI-UHFFFAOYSA-J
MW6568.32 g/mol
LogP55.29
Rot. Bonds91

About 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)

5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) (PubChem CID 158823503) has the molecular formula C347H343F18O81S13+5 and a molecular weight of 6568.32 g/mol. Its IUPAC name is 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate).

Molecular Properties

Compound Name5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)
PubChem CID158823503
Molecular FormulaC347H343F18O81S13+5
Molecular Weight6568.32 g/mol
Exact Mass6562.88
IUPAC Name5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)
SMILESCC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COCC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)SOO[O-].O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-]
InChIInChI=1S/3C28H25O5S.3C27H23O4S.3C22H19O3S.2C14H20F2O3.C14H18F2O3.C14H20F2O2.C13H18F2O6S.C13H16F2O3.2C12H12F2O9S.C10H10F2O7S/c3*29-25(32-26-18-15-23-24(16-18)28(30)33-27(23)26)17-31-19-11-13-22(14-12-19)34(20-7-3-1-4-8-20)21-9-5-2-6-10-21;3*28-26-23-16-17-15-22(23)25(31-26)24(17)27(29)30-18-11-13-21(14-12-18)32(19-7-3-1-4-8-19)20-9-5-2-6-10-20;3*23-22-15-18(16-24-22)25-17-11-13-21(14-12-17)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20;1-12(15,16)11(17)19-8-13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-12(15,16)8-19-11(17)13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-13(15,16)7-19-12(18)14-4-8-2-9(5-14)11(17)10(3-8)6-14;1-13(15,16)7-18-8-14-4-9-2-10(5-14)12(17)11(3-9)6-14;14-13(15,22-21-20-18)10(16)19-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;2*13-12(14,24-23-22-18)11(17)19-3-7(15)20-8-4-1-5-6(2-4)10(16)21-9(5)8;11-10(12,20-19-18-15)9(14)17-6-3-1-4-5(2-3)8(13)16-7(4)6/h3*1-14,18,23-24,26-27H,15-17H2;3*1-14,17,22-25H,15-16H2;3*1-14,18H,15-16H2;2*9-10,18H,2-8H2,1H3;8-10H,2-7H2,1H3;9-11H,2-8H2,1H3;8-9,17-18H,1-7H2;7-9H,2-6H2,1H3;2*4-6,8-9,18H,1-3H2;3-7,15H,1-2H2/q9*+1;;;;;;;;;/p-4
InChIKeyIWDWOITYQGEJMI-UHFFFAOYSA-J
XLogP55.29
TPSA1078.99 Ų
H-Bond Donors3
H-Bond Acceptors85
Rotatable Bonds91
Heavy Atoms459
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006568.32
LogP ≤ 555.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1085

Analyze 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
The IUPAC name of 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) (CID 158823503) is 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate).
What is the SMILES notation for 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
The canonical SMILES for 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) is CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COCC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC1C2CC3C(=O)OC1C3C2.O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)SOO[O-].O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1CC(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CO1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-].
What is the InChIKey of 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
The InChIKey is IWDWOITYQGEJMI-UHFFFAOYSA-J. The full InChI is InChI=1S/3C28H25O5S.3C27H23O4S.3C22H19O3S.2C14H20F2O3.C14H18F2O3.C14H20F2O2.C13H18F2O6S.C13H16F2O3.2C12H12F2O9S.C10H10F2O7S/c3*29-25(32-26-18-15-23-24(16-18)28(30)33-27(23)26)17-31-19-11-13-22(14-12-19)34(20-7-3-1-4-8-20)21-9-5-2-6-10-21;3*28-26-23-16-17-15-22(23)25(31-26)24(17)27(29)30-18-11-13-21(14-12-18)32(19-7-3-1-4-8-19)20-9-5-2-6-10-20;3*23-22-15-18(16-24-22)25-17-11-13-21(14-12-17)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20;1-12(15,16)11(17)19-8-13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-12(15,16)8-19-11(17)13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-13(15,16)7-19-12(18)14-4-8-2-9(5-14)11(17)10(3-8)6-14;1-13(15,16)7-18-8-14-4-9-2-10(5-14)12(17)11(3-9)6-14;14-13(15,22-21-20-18)10(16)19-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;2*13-12(14,24-23-22-18)11(17)19-3-7(15)20-8-4-1-5-6(2-4)10(16)21-9(5)8;11-10(12,20-19-18-15)9(14)17-6-3-1-4-5(2-3)8(13)16-7(4)6/h3*1-14,18,23-24,26-27H,15-17H2;3*1-14,17,22-25H,15-16H2;3*1-14,18H,15-16H2;2*9-10,18H,2-8H2,1H3;8-10H,2-7H2,1H3;9-11H,2-8H2,1H3;8-9,17-18H,1-7H2;7-9H,2-6H2,1H3;2*4-6,8-9,18H,1-3H2;3-7,15H,1-2H2/q9*+1;;;;;;;;;/p-4.
What are the key properties of 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) has a molecular weight of 6568.32 g/mol, XLogP of 55.29, 91 rotatable bonds, 3 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoropropoxymethyl)adamantan-2-one;2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;tris([4-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxyphenyl]-diphenylsulfanium);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;tris([4-(5-oxooxolan-3-yl)oxyphenyl]-diphenylsulfanium);tris([4-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]phenyl]-diphenylsulfanium);bis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) is sourced from PubChem (CID 158823503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).