3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate

C138H140F21I5O34S5 — CID 165049065

IUPAC3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate
SMILESCC(=O)Oc1c(I)cc(C(O)C(F)(F)C(=O)[O-])cc1I.CC(C)(C)c1ccc([I+]c2ccccc2C(=O)OCC(F)(F)F)cc1.CC(CC(=O)[O-])(OC(=O)C12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2)C(F)(F)F.CC(O)(C(=O)[O-])C(F)(F)F.CCOCC[S+](c1ccccc1)c1ccccc1C(=O)OCC(F)(F)F.COC(=O)c1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1.CS(=O)(=O)[C-](S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)c(C(=O)OCC(F)(F)F)c1)c1ccc(I)cc1.c1ccccc1
InChIInChI=1S/C28H19F3IO4S.C20H23F7O6.C19H19F3IO2.C19H20F3O3S.C17H18IO5.C14H25O6S3.C11H8F2I2O5.C6H6.C4H5F3O3/c29-28(30,31)18-35-27(34)24-17-21(36-26(33)19-11-13-20(32)14-12-19)15-16-25(24)37(22-7-3-1-4-8-22)23-9-5-2-6-10-23;1-15(7-13(28)29,20(25,26)27)33-14(30)16-4-10-2-11(5-16)19(12(3-10)6-16)31-8-17(21,22)18(23,24)9-32-19;1-18(2,3)13-8-10-14(11-9-13)23-16-7-5-4-6-15(16)17(24)25-12-19(20,21)22;1-2-24-12-13-26(15-8-4-3-5-9-15)17-11-7-6-10-16(17)18(23)25-14-19(20,21)22;1-20-13-9-14(21-2)16(15(10-13)22-3)18-12-7-5-11(6-8-12)17(19)23-4;1-21(15,16)14(22(17,18)12-8-4-2-5-9-12)23(19,20)13-10-6-3-7-11-13;1-4(16)20-8-6(14)2-5(3-7(8)15)9(17)11(12,13)10(18)19;1-2-4-6-5-3-1;1-3(10,2(8)9)4(5,6)7/h1-17H,18H2;10-12H,2-9H2,1H3,(H,28,29);4-11H,12H2,1-3H3;3-11H,2,12-14H2,1H3;5-10H,1-4H3;12-13H,2-11H2,1H3;2-3,9,17H,1H3,(H,18,19);1-6H;10H,1H3,(H,8,9)/q+1;;3*+1;-1;;;/p-3
InChIKeyPJJZRAIQALJWGZ-UHFFFAOYSA-K
MW3536.42 g/mol
LogP20.04
Rot. Bonds39

About 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate

3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate (PubChem CID 165049065) has the molecular formula C138H140F21I5O34S5 and a molecular weight of 3536.42 g/mol. Its IUPAC name is 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate.

Molecular Properties

Compound Name3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate
PubChem CID165049065
Molecular FormulaC138H140F21I5O34S5
Molecular Weight3536.42 g/mol
Exact Mass3534.27
IUPAC Name3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate
SMILESCC(=O)Oc1c(I)cc(C(O)C(F)(F)C(=O)[O-])cc1I.CC(C)(C)c1ccc([I+]c2ccccc2C(=O)OCC(F)(F)F)cc1.CC(CC(=O)[O-])(OC(=O)C12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2)C(F)(F)F.CC(O)(C(=O)[O-])C(F)(F)F.CCOCC[S+](c1ccccc1)c1ccccc1C(=O)OCC(F)(F)F.COC(=O)c1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1.CS(=O)(=O)[C-](S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)c(C(=O)OCC(F)(F)F)c1)c1ccc(I)cc1.c1ccccc1
InChIInChI=1S/C28H19F3IO4S.C20H23F7O6.C19H19F3IO2.C19H20F3O3S.C17H18IO5.C14H25O6S3.C11H8F2I2O5.C6H6.C4H5F3O3/c29-28(30,31)18-35-27(34)24-17-21(36-26(33)19-11-13-20(32)14-12-19)15-16-25(24)37(22-7-3-1-4-8-22)23-9-5-2-6-10-23;1-15(7-13(28)29,20(25,26)27)33-14(30)16-4-10-2-11(5-16)19(12(3-10)6-16)31-8-17(21,22)18(23,24)9-32-19;1-18(2,3)13-8-10-14(11-9-13)23-16-7-5-4-6-15(16)17(24)25-12-19(20,21)22;1-2-24-12-13-26(15-8-4-3-5-9-15)17-11-7-6-10-16(17)18(23)25-14-19(20,21)22;1-20-13-9-14(21-2)16(15(10-13)22-3)18-12-7-5-11(6-8-12)17(19)23-4;1-21(15,16)14(22(17,18)12-8-4-2-5-9-12)23(19,20)13-10-6-3-7-11-13;1-4(16)20-8-6(14)2-5(3-7(8)15)9(17)11(12,13)10(18)19;1-2-4-6-5-3-1;1-3(10,2(8)9)4(5,6)7/h1-17H,18H2;10-12H,2-9H2,1H3,(H,28,29);4-11H,12H2,1-3H3;3-11H,2,12-14H2,1H3;5-10H,1-4H3;12-13H,2-11H2,1H3;2-3,9,17H,1H3,(H,18,19);1-6H;10H,1H3,(H,8,9)/q+1;;3*+1;-1;;;/p-3
InChIKeyPJJZRAIQALJWGZ-UHFFFAOYSA-K
XLogP20.04
TPSA502.75 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds39
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003536.42
LogP ≤ 520.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate with MolForge

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Related Compounds

1,1-difluoro-2-(3-hydroxyadamantane-1-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(4-oxospiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4'-adamantane]-1'-carbonyl)oxyethanesulfonate;[4-[2-(3,5-diiodo-2-methoxycarbonylphenoxy)-2-oxoethyl]sulfonylphenyl]-diphenylsulfanium;[4-[2-(4-hydroxy-2,6-diiodophenoxy)-2-oxoethyl]sulfonylphenyl]-diphenylsulfanium
CID 167660702

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate?
The IUPAC name of 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate (CID 165049065) is 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate.
What is the SMILES notation for 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate?
The canonical SMILES for 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate is CC(=O)Oc1c(I)cc(C(O)C(F)(F)C(=O)[O-])cc1I.CC(C)(C)c1ccc([I+]c2ccccc2C(=O)OCC(F)(F)F)cc1.CC(CC(=O)[O-])(OC(=O)C12CC3CC(C1)C1(OCC(F)(F)C(F)(F)CO1)C(C3)C2)C(F)(F)F.CC(O)(C(=O)[O-])C(F)(F)F.CCOCC[S+](c1ccccc1)c1ccccc1C(=O)OCC(F)(F)F.COC(=O)c1ccc([I+]c2c(OC)cc(OC)cc2OC)cc1.CS(=O)(=O)[C-](S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)c(C(=O)OCC(F)(F)F)c1)c1ccc(I)cc1.c1ccccc1.
What is the InChIKey of 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate?
The InChIKey is PJJZRAIQALJWGZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H19F3IO4S.C20H23F7O6.C19H19F3IO2.C19H20F3O3S.C17H18IO5.C14H25O6S3.C11H8F2I2O5.C6H6.C4H5F3O3/c29-28(30,31)18-35-27(34)24-17-21(36-26(33)19-11-13-20(32)14-12-19)15-16-25(24)37(22-7-3-1-4-8-22)23-9-5-2-6-10-23;1-15(7-13(28)29,20(25,26)27)33-14(30)16-4-10-2-11(5-16)19(12(3-10)6-16)31-8-17(21,22)18(23,24)9-32-19;1-18(2,3)13-8-10-14(11-9-13)23-16-7-5-4-6-15(16)17(24)25-12-19(20,21)22;1-2-24-12-13-26(15-8-4-3-5-9-15)17-11-7-6-10-16(17)18(23)25-14-19(20,21)22;1-20-13-9-14(21-2)16(15(10-13)22-3)18-12-7-5-11(6-8-12)17(19)23-4;1-21(15,16)14(22(17,18)12-8-4-2-5-9-12)23(19,20)13-10-6-3-7-11-13;1-4(16)20-8-6(14)2-5(3-7(8)15)9(17)11(12,13)10(18)19;1-2-4-6-5-3-1;1-3(10,2(8)9)4(5,6)7/h1-17H,18H2;10-12H,2-9H2,1H3,(H,28,29);4-11H,12H2,1-3H3;3-11H,2,12-14H2,1H3;5-10H,1-4H3;12-13H,2-11H2,1H3;2-3,9,17H,1H3,(H,18,19);1-6H;10H,1H3,(H,8,9)/q+1;;3*+1;-1;;;/p-3.
What are the key properties of 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate?
3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate has a molecular weight of 3536.42 g/mol, XLogP of 20.04, 39 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyloxy-3,5-diiodophenyl)-2,2-difluoro-3-hydroxypropanoate;benzene;(4-tert-butylphenyl)-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]iodanium;[cyclohexylsulfonyl(methylsulfonyl)methyl]sulfonylcyclohexane;2-ethoxyethyl-phenyl-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;[4-(4-iodobenzoyl)oxy-2-(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium;(4-methoxycarbonylphenyl)-(2,4,6-trimethoxyphenyl)iodanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;4,4,4-trifluoro-3-methyl-3-(5,5,6,6-tetrafluorospiro[1,3-dioxepane-2,4'-adamantane]-1'-carbonyl)oxybutanoate is sourced from PubChem (CID 165049065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).