2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)

C151H165F27O30S10 — CID 160654163

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium) (PubChem CID 160654163) has the molecular formula C151H165F27O30S10 and a molecular weight of 3293.57 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)
• PubChem CID: 160654163
• Molecular Formula: C151H165F27O30S10
• Molecular Weight: 3293.57 g/mol
• Exact Mass: 3290.82
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)
• SMILES: CC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCC2)c2ccccc12.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15S.2C17H21O2S.C16H16F3OS.C15H18F6O5S.2C14H17F5O5S.C13H18F2O5S.C9H12F6O5S/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-18-10-11-19-16-8-9-17(20-12-4-5-13-20)15-7-3-2-6-14(15)16;17-16(18,19)11-20-14-7-8-15(21-9-3-4-10-21)13-6-2-1-5-12(13)14;16-14(17,18)13(15(19,20)21,7-27(23,24)25)26-11(22)12-4-8-1-9(5-12)3-10(2-8)6-12;2*15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19/h2*1-15H;2*2-3,6-9H,4-5,10-13H2,1H3;1-2,5-8H,3-4,9-11H2;8-10H,1-7H2,(H,23,24,25);2*7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,(H,17,18,19);4H2,1-3H3,(H,17,18,19)/q5*+1;;;;;/p-5
• InChIKey: RKVBAOQVEOJRPO-UHFFFAOYSA-I
• XLogP: 34.04
• TPSA: 463.65 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3293.57
LogP ≤ 5	34.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium) (CID 160654163) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium) is CC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.COCCOc1ccc([S+]2CCCC2)c2ccccc12.COCCOc1ccc([S+]2CCCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCC2)c2ccccc12.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)?

The InChIKey is RKVBAOQVEOJRPO-UHFFFAOYSA-I. The full InChI is InChI=1S/2C18H15S.2C17H21O2S.C16H16F3OS.C15H18F6O5S.2C14H17F5O5S.C13H18F2O5S.C9H12F6O5S/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-18-10-11-19-16-8-9-17(20-12-4-5-13-20)15-7-3-2-6-14(15)16;17-16(18,19)11-20-14-7-8-15(21-9-3-4-10-21)13-6-2-1-5-12(13)14;16-14(17,18)13(15(19,20)21,7-27(23,24)25)26-11(22)12-4-8-1-9(5-12)3-10(2-8)6-12;2*15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19/h2*1-15H;2*2-3,6-9H,4-5,10-13H2,1H3;1-2,5-8H,3-4,9-11H2;8-10H,1-7H2,(H,23,24,25);2*7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,(H,17,18,19);4H2,1-3H3,(H,17,18,19)/q5*+1;;;;;/p-5.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium) has a molecular weight of 3293.57 g/mol, XLogP of 34.04, 38 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium;bis(triphenylsulfanium) is sourced from PubChem (CID 160654163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).