3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate

C105H86F20O18S8 — CID 158652534

IUPAC3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate
SMILESCC(C(F)(F)F)(C(F)(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)S(=O)(=O)[O-].CC(COC(=O)c1cccc2c(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cccc12)(C(F)(F)F)S(=O)(=O)[O-].O=S(=O)([O-])C(C(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)F.O=S(=O)([O-])C(F)(C(F)(F)F)C(F)(F)C(F)(F)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H25F3O6S2.C25H20F8O4S2.C24H21F5O4S2.C23H20F4O4S2/c1-32(33(34,35)36,44(38,39)40)22-41-31(37)29-16-8-15-28-27(29)14-9-17-30(28)42-23-18-20-26(21-19-23)43(24-10-4-2-5-11-24)25-12-6-3-7-13-25;26-22(27,23(28,29)24(30,25(31,32)33)39(34,35)36)16-7-17-37-18-12-14-21(15-13-18)38(19-8-3-1-4-9-19)20-10-5-2-6-11-20;1-22(24(27,28)29,35(30,31)32)23(25,26)16-17-33-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;24-21(22(23(25,26)27)33(28,29)30)15-16-31-17-11-13-20(14-12-17)32(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h2-21H,22H2,1H3;1-6,8-15H,7,16-17H2;2-15H,16-17H2,1H3;1-14,21-22H,15-16H2
InChIKeyIBSOFVJRVSHFFT-UHFFFAOYSA-N
MW2272.32 g/mol
LogP26.15
Rot. Bonds38

About 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate

3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate (PubChem CID 158652534) has the molecular formula C105H86F20O18S8 and a molecular weight of 2272.32 g/mol. Its IUPAC name is 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate.

Molecular Properties

Compound Name3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate
PubChem CID158652534
Molecular FormulaC105H86F20O18S8
Molecular Weight2272.32 g/mol
Exact Mass2270.33
IUPAC Name3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate
SMILESCC(C(F)(F)F)(C(F)(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)S(=O)(=O)[O-].CC(COC(=O)c1cccc2c(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cccc12)(C(F)(F)F)S(=O)(=O)[O-].O=S(=O)([O-])C(C(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)F.O=S(=O)([O-])C(F)(C(F)(F)F)C(F)(F)C(F)(F)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H25F3O6S2.C25H20F8O4S2.C24H21F5O4S2.C23H20F4O4S2/c1-32(33(34,35)36,44(38,39)40)22-41-31(37)29-16-8-15-28-27(29)14-9-17-30(28)42-23-18-20-26(21-19-23)43(24-10-4-2-5-11-24)25-12-6-3-7-13-25;26-22(27,23(28,29)24(30,25(31,32)33)39(34,35)36)16-7-17-37-18-12-14-21(15-13-18)38(19-8-3-1-4-9-19)20-10-5-2-6-11-20;1-22(24(27,28)29,35(30,31)32)23(25,26)16-17-33-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;24-21(22(23(25,26)27)33(28,29)30)15-16-31-17-11-13-20(14-12-17)32(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h2-21H,22H2,1H3;1-6,8-15H,7,16-17H2;2-15H,16-17H2,1H3;1-14,21-22H,15-16H2
InChIKeyIBSOFVJRVSHFFT-UHFFFAOYSA-N
XLogP26.15
TPSA292.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002272.32
LogP ≤ 526.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate with MolForge

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Related Compounds

5,5-Difluoro-5-(phenylsulfonyl)pentyl 6-(3-((3r,5r,7r)-adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate
CID 163297716
2-[6-Fluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid
CID 59326481
2-[4-(4-Ethylsulfonyl-3-fluorophenoxy)-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 59326498
Methyl 2-[4-(4-ethylsulfonylphenoxy)-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 59326503
2-[4-(4-Ethylsulfonyl-2-fluorophenoxy)-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 59326531
[4-(4-Ethanesulfonyl-phenoxy)-6-fluoro-naphthalen-2-yl]-acetic acid methyl ester
CID 59326563
2-[4-(4-Ethylsulfonylphenoxy)-6-(trifluoromethyl)naphthalen-2-yl]acetic acid
CID 59326592
2-[6-Fluoro-4-[4-(4-fluorophenyl)sulfonylphenoxy]-3-methylnaphthalen-2-yl]acetic acid
CID 59326593
2-[4-(4-Ethylsulfonyl-3-methylphenoxy)-6-fluoro-3-methylnaphthalen-2-yl]-2-[6-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-3-methylnaphthalen-2-yl]butanedioic acid
CID 67304716
2-[4-(4-Ethylsulfinylphenoxy)-6-(trifluoromethyl)naphthalen-2-yl]acetic acid
CID 70887361
Triphenylsulfonium 1,1,3,3,3-pentafluoro-2-(6-methacryloyloxy-naphthalene-2-carbonyloxy)-propane-1-sulfonate
CID 86639516
4-(2,2,2-Trifluoroethoxy)-1-naphthyl-tetrahydrothiophenium 2-benzoyloxy-1,1,3,3,3-pentafluoro-propane-1-sulfonate
CID 86664297

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?
The IUPAC name of 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate (CID 158652534) is 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate.
What is the SMILES notation for 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?
The canonical SMILES for 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate is CC(C(F)(F)F)(C(F)(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)S(=O)(=O)[O-].CC(COC(=O)c1cccc2c(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cccc12)(C(F)(F)F)S(=O)(=O)[O-].O=S(=O)([O-])C(C(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)F.O=S(=O)([O-])C(F)(C(F)(F)F)C(F)(F)C(F)(F)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?
The InChIKey is IBSOFVJRVSHFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F3O6S2.C25H20F8O4S2.C24H21F5O4S2.C23H20F4O4S2/c1-32(33(34,35)36,44(38,39)40)22-41-31(37)29-16-8-15-28-27(29)14-9-17-30(28)42-23-18-20-26(21-19-23)43(24-10-4-2-5-11-24)25-12-6-3-7-13-25;26-22(27,23(28,29)24(30,25(31,32)33)39(34,35)36)16-7-17-37-18-12-14-21(15-13-18)38(19-8-3-1-4-9-19)20-10-5-2-6-11-20;1-22(24(27,28)29,35(30,31)32)23(25,26)16-17-33-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;24-21(22(23(25,26)27)33(28,29)30)15-16-31-17-11-13-20(14-12-17)32(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h2-21H,22H2,1H3;1-6,8-15H,7,16-17H2;2-15H,16-17H2,1H3;1-14,21-22H,15-16H2.
What are the key properties of 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?
3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate has a molecular weight of 2272.32 g/mol, XLogP of 26.15, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate is sourced from PubChem (CID 158652534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).