cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)

C143H158F20O25S10 — CID 161206210

About cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)

cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium) (PubChem CID 161206210) has the molecular formula C143H158F20O25S10 and a molecular weight of 2977.44 g/mol. Its IUPAC name is cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium).

Molecular Properties

• Compound Name: cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)
• PubChem CID: 161206210
• Molecular Formula: C143H158F20O25S10
• Molecular Weight: 2977.44 g/mol
• Exact Mass: 2974.80
• IUPAC Name: cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)
• SMILES: C1CCC1.CC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OC.CCC(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].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
• InChI: InChI=1S/5C18H15S.C11H18F4O5S.2C10H16F4O5S.C9H14F4O5S.C6H12O2.C4H8.C3H4F4O3S/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-9(2,3)8(16)20-7-5-6-10(12,13)11(14,15)21(17,18)19;1-4-8(2,3)7(15)19-6-5-9(11,12)10(13,14)20(16,17)18;1-3-7(2)8(15)19-6-4-5-9(11,12)10(13,14)20(16,17)18;1-3-6(2)7(14)18-5-4-8(10,11)9(12,13)19(15,16)17;1-4-5(2)6(7)8-3;1-2-4-3-1;1-2(4,5)3(6,7)11(8,9)10/h5*1-15H;4-7H2,1-3H3,(H,17,18,19);4-6H2,1-3H3,(H,16,17,18);7H,3-6H2,1-2H3,(H,16,17,18);6H,3-5H2,1-2H3,(H,15,16,17);5H,4H2,1-3H3;1-4H2;1H3,(H,8,9,10)/q5*+1;;;;;;;/p-5
• InChIKey: UVPZKGGJKMZBOA-UHFFFAOYSA-I
• XLogP: 35.97
• TPSA: 417.50 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 49
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2977.44
LogP ≤ 5	35.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)?

The IUPAC name of cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium) (CID 161206210) is cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium).

What is the SMILES notation for cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)?

The canonical SMILES for cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium) is C1CCC1.CC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OC.CCC(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].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 cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)?

The InChIKey is UVPZKGGJKMZBOA-UHFFFAOYSA-I. The full InChI is InChI=1S/5C18H15S.C11H18F4O5S.2C10H16F4O5S.C9H14F4O5S.C6H12O2.C4H8.C3H4F4O3S/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-9(2,3)8(16)20-7-5-6-10(12,13)11(14,15)21(17,18)19;1-4-8(2,3)7(15)19-6-5-9(11,12)10(13,14)20(16,17)18;1-3-7(2)8(15)19-6-4-5-9(11,12)10(13,14)20(16,17)18;1-3-6(2)7(14)18-5-4-8(10,11)9(12,13)19(15,16)17;1-4-5(2)6(7)8-3;1-2-4-3-1;1-2(4,5)3(6,7)11(8,9)10/h5*1-15H;4-7H2,1-3H3,(H,17,18,19);4-6H2,1-3H3,(H,16,17,18);7H,3-6H2,1-2H3,(H,16,17,18);6H,3-5H2,1-2H3,(H,15,16,17);5H,4H2,1-3H3;1-4H2;1H3,(H,8,9,10)/q5*+1;;;;;;;/p-5.

What are the key properties of cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)?

cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium) has a molecular weight of 2977.44 g/mol, XLogP of 35.97, 49 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium) is sourced from PubChem (CID 161206210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).