1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)

C182H251F14O19S7+7 — CID 159718716

IUPAC1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)
SMILESCC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC1CCCCC1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1
InChIInChI=1S/C21H26F2O2.2C15H23S.2C14H20F2O3.C14H20F2O2.C13H16F2O3.C11H12F2O4.5C11H15S.C10H16F2O2/c1-14-3-5-17(6-4-14)21-10-15-7-16(11-21)9-20(8-15,12-21)13-25-18(24)19(2,22)23;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;2*1-12(15,16)11(17)19-8-13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7;5*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-10(11,12)9(13)14-7-8-5-3-2-4-6-8/h3-6,15-16H,7-13H2,1-2H3;2*7-10H,4-6,11-12H2,1-3H3;2*9-10,18H,2-8H2,1H3;9-11H,2-8H2,1H3;7-9H,2-6H2,1H3;4-8H,2-3H2,1H3;5*1,3-4,7-8H,2,5-6,9-10H2;8H,2-7H2,1H3/q;2*+1;;;;;;5*+1;
InChIKeyMZTIZZXBSAOZOS-UHFFFAOYSA-N
MW3233.43 g/mol
LogP42.23
Rot. Bonds27

About 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)

1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium) (PubChem CID 159718716) has the molecular formula C182H251F14O19S7+7 and a molecular weight of 3233.43 g/mol. Its IUPAC name is 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium).

Molecular Properties

Compound Name1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)
PubChem CID159718716
Molecular FormulaC182H251F14O19S7+7
Molecular Weight3233.43 g/mol
Exact Mass3230.65
IUPAC Name1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)
SMILESCC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC1CCCCC1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1
InChIInChI=1S/C21H26F2O2.2C15H23S.2C14H20F2O3.C14H20F2O2.C13H16F2O3.C11H12F2O4.5C11H15S.C10H16F2O2/c1-14-3-5-17(6-4-14)21-10-15-7-16(11-21)9-20(8-15,12-21)13-25-18(24)19(2,22)23;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;2*1-12(15,16)11(17)19-8-13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7;5*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-10(11,12)9(13)14-7-8-5-3-2-4-6-8/h3-6,15-16H,7-13H2,1-2H3;2*7-10H,4-6,11-12H2,1-3H3;2*9-10,18H,2-8H2,1H3;9-11H,2-8H2,1H3;7-9H,2-6H2,1H3;4-8H,2-3H2,1H3;5*1,3-4,7-8H,2,5-6,9-10H2;8H,2-7H2,1H3/q;2*+1;;;;;;5*+1;
InChIKeyMZTIZZXBSAOZOS-UHFFFAOYSA-N
XLogP42.23
TPSA267.93 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003233.43
LogP ≤ 542.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium) with MolForge

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Related Compounds

1-adamantylmethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methyl 2,2-difluoropropanoate;[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);pentakis(triphenylsulfanium)
CID 159055397
cyclohexylmethyl 2,2-difluoropropanoate;[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)
CID 159986410
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
2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;bis((4-tert-butylphenyl)-diphenylsulfanium);1,1-difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;bis((4-methylphenyl)-diphenylsulfanium);1-(thiolan-1-ium-1-yl)propan-2-one
CID 159330027
[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate
CID 70661109
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-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 159762765
bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);ethane;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 158580997
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
bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;triphenylsulfanium
CID 163736279
2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene
CID 159803086
tris([4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methane;(2-methyl-1-adamantyl) 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 157195379

Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)?
The IUPAC name of 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium) (CID 159718716) is 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium).
What is the SMILES notation for 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)?
The canonical SMILES for 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium) is CC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)C(=O)OCC1CCCCC1.Cc1ccc(C23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.c1ccc([S+]2CCCCC2)cc1.
What is the InChIKey of 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)?
The InChIKey is MZTIZZXBSAOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2O2.2C15H23S.2C14H20F2O3.C14H20F2O2.C13H16F2O3.C11H12F2O4.5C11H15S.C10H16F2O2/c1-14-3-5-17(6-4-14)21-10-15-7-16(11-21)9-20(8-15,12-21)13-25-18(24)19(2,22)23;2*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;2*1-12(15,16)11(17)19-8-13-3-9-2-10(4-13)6-14(18,5-9)7-13;1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7;5*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-10(11,12)9(13)14-7-8-5-3-2-4-6-8/h3-6,15-16H,7-13H2,1-2H3;2*7-10H,4-6,11-12H2,1-3H3;2*9-10,18H,2-8H2,1H3;9-11H,2-8H2,1H3;7-9H,2-6H2,1H3;4-8H,2-3H2,1H3;5*1,3-4,7-8H,2,5-6,9-10H2;8H,2-7H2,1H3/q;2*+1;;;;;;5*+1;.
What are the key properties of 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)?
1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium) has a molecular weight of 3233.43 g/mol, XLogP of 42.23, 27 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium) is sourced from PubChem (CID 159718716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).