bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)

C326H406F34O39S10+10 — CID 167532836

IUPACbis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(F)(F)C(=O)OCC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(O)(C3)C1)C2.CCOC(=O)C(OCCC(C)(C)C(C)(F)F)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CCOC(=O)C(OCCC(C)(C)C(C)(F)F)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C23H33F5O5.2C18H22F6O4.5C18H15S.2C14H20F2O3.2C14H18F2O3.2C14H20F2O2.5C14H21OS/c2*1-5-31-18(30)22(23(26,27)28,32-7-6-19(2,3)20(4,24)25)33-17(29)21-11-14-8-15(12-21)10-16(9-14)13-21;2*1-14(19,20)13(25)26-7-15-4-10-2-11(5-15)18(12(3-10)6-15)27-8-16(21,22)17(23,24)9-28-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-12(15,16)19-7-11(17)13-3-9-2-10(4-13)6-14(18,5-9)8-13;2*1-13(15,16)19-7-11(17)14-4-8-2-9(5-14)12(18)10(3-8)6-14;2*1-13(15,16)18-8-12(17)14-5-9-2-10(6-14)4-11(3-9)7-14;5*1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h2*14-16H,5-13H2,1-4H3;2*10-12H,2-9H2,1H3;5*1-15H;2*9-10,18H,2-8H2,1H3;2*8-10H,2-7H2,1H3;2*9-11H,2-8H2,1H3;5*4-7H,8-11H2,1-3H3/q;;;;5*+1;;;;;;;5*+1
InChIKeyAEXJQQCAQQSMJS-UHFFFAOYSA-N
MW5915.40 g/mol
LogP75.22
Rot. Bonds68

About bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)

bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium) (PubChem CID 167532836) has the molecular formula C326H406F34O39S10+10 and a molecular weight of 5915.40 g/mol. Its IUPAC name is bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium).

Molecular Properties

Compound Namebis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)
PubChem CID167532836
Molecular FormulaC326H406F34O39S10+10
Molecular Weight5915.40 g/mol
Exact Mass5910.64
IUPAC Namebis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(F)(F)C(=O)OCC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(O)(C3)C1)C2.CCOC(=O)C(OCCC(C)(C)C(C)(F)F)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CCOC(=O)C(OCCC(C)(C)C(C)(F)F)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C23H33F5O5.2C18H22F6O4.5C18H15S.2C14H20F2O3.2C14H18F2O3.2C14H20F2O2.5C14H21OS/c2*1-5-31-18(30)22(23(26,27)28,32-7-6-19(2,3)20(4,24)25)33-17(29)21-11-14-8-15(12-21)10-16(9-14)13-21;2*1-14(19,20)13(25)26-7-15-4-10-2-11(5-15)18(12(3-10)6-15)27-8-16(21,22)17(23,24)9-28-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-12(15,16)19-7-11(17)13-3-9-2-10(4-13)6-14(18,5-9)8-13;2*1-13(15,16)19-7-11(17)14-4-8-2-9(5-14)12(18)10(3-8)6-14;2*1-13(15,16)18-8-12(17)14-5-9-2-10(6-14)4-11(3-9)7-14;5*1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h2*14-16H,5-13H2,1-4H3;2*10-12H,2-9H2,1H3;5*1-15H;2*9-10,18H,2-8H2,1H3;2*8-10H,2-7H2,1H3;2*9-11H,2-8H2,1H3;5*4-7H,8-11H2,1-3H3/q;;;;5*+1;;;;;;;5*+1
InChIKeyAEXJQQCAQQSMJS-UHFFFAOYSA-N
XLogP75.22
TPSA491.73 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds68
Heavy Atoms409
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005915.40
LogP ≤ 575.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium) with MolForge

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Related Compounds

4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;bis([3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] adamantane-1-carboxylate);triphenylsulfanium
CID 158089359
4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;bis([3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 3,3-difluoro-2-oxobutanoate;(2-methyl-2-adamantyl) 3,3-difluoro-2-oxobutanoate;(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl) 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)
CID 157132442
1-(4-tert-butylphenyl)thian-1-ium;bis([3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] adamantane-1-carboxylate);[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;tris(triphenylsulfanium)
CID 159658771
2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;2,2-difluoropropyl adamantane-1-carboxylate;triphenylsulfanium
CID 167595026
4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;bis(2,2-difluoropropyl adamantane-1-carboxylate);bis(2,2-difluoropropyl 3-hydroxyadamantane-1-carboxylate);4-(4-propan-2-ylphenyl)-1,4-oxathian-4-ium;tris(triphenylsulfanium)
CID 159524924
1-adamantylmethyl 2,2-difluoropropanoate;bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(3-hydroxy-1-adamantyl) 2,2-difluoropropanoate;tris((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);bis((4-oxo-1-adamantyl) 2,2-difluoropropanoate);tris(triphenylsulfanium);bis(tris(4-methylphenyl)sulfanium)
CID 159720488
4-[2-(adamantane-1-carbonyloxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;1-adamantylmethyl 2,2-difluoropropanoate;1-(4-tert-butylphenyl)thiolan-1-ium;diphenyliodanium;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate
CID 158317135
1-adamantylmethyl 2,2-difluoropropanoate;(4-tert-butylphenyl)-diphenylsulfanium;tris((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
CID 157198823
bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate);triphenylsulfanium;tris(4-methylphenyl)sulfanium
CID 161317939
octakis([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] adamantane-1-carboxylate;[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(3,3,4,4-tetrafluoropentoxy)propan-2-yl] 3-hydroxyadamantane-1-carboxylate;(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclohexyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methylcyclohexyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate
CID 161455795
bis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis(2,2-difluoropropyl 4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate);bis([4-(hydroxymethyl)spiro[1,3-dioxolane-2,4'-adamantane]-1'-yl] 2,2-difluoropropanoate);bis(triphenylsulfanium)
CID 158280633
4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dioxolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate
CID 158291655

Frequently Asked Questions

What is the IUPAC name of bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)?
The IUPAC name of bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium) (CID 167532836) is bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium).
What is the SMILES notation for bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)?
The canonical SMILES for bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium) is CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.CC(F)(F)C(=O)OCC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)OCC(=O)C12CC3CC(CC(O)(C3)C1)C2.CCOC(=O)C(OCCC(C)(C)C(C)(F)F)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CCOC(=O)C(OCCC(C)(C)C(C)(F)F)(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)?
The InChIKey is AEXJQQCAQQSMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H33F5O5.2C18H22F6O4.5C18H15S.2C14H20F2O3.2C14H18F2O3.2C14H20F2O2.5C14H21OS/c2*1-5-31-18(30)22(23(26,27)28,32-7-6-19(2,3)20(4,24)25)33-17(29)21-11-14-8-15(12-21)10-16(9-14)13-21;2*1-14(19,20)13(25)26-7-15-4-10-2-11(5-15)18(12(3-10)6-15)27-8-16(21,22)17(23,24)9-28-18;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-12(15,16)19-7-11(17)13-3-9-2-10(4-13)6-14(18,5-9)8-13;2*1-13(15,16)19-7-11(17)14-4-8-2-9(5-14)12(18)10(3-8)6-14;2*1-13(15,16)18-8-12(17)14-5-9-2-10(6-14)4-11(3-9)7-14;5*1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h2*14-16H,5-13H2,1-4H3;2*10-12H,2-9H2,1H3;5*1-15H;2*9-10,18H,2-8H2,1H3;2*8-10H,2-7H2,1H3;2*9-11H,2-8H2,1H3;5*4-7H,8-11H2,1-3H3/q;;;;5*+1;;;;;;;5*+1.
What are the key properties of bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium)?
bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium) has a molecular weight of 5915.40 g/mol, XLogP of 75.22, 68 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(1-adamantyl)-2-(1,1-difluoroethoxy)ethanone);pentakis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);bis([2-(4,4-difluoro-3,3-dimethylpentoxy)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl] adamantane-1-carboxylate);bis(5-[2-(1,1-difluoroethoxy)acetyl]adamantan-2-one);bis(2-(1,1-difluoroethoxy)-1-(3-hydroxy-1-adamantyl)ethanone);bis((5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-yl)methyl 2,2-difluoropropanoate);pentakis(triphenylsulfanium) is sourced from PubChem (CID 167532836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).