2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)

C148H186F10N2O21S10+4 — CID 158879995

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) (PubChem CID 158879995) has the molecular formula C148H186F10N2O21S10+4 and a molecular weight of 2839.76 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
• PubChem CID: 158879995
• Molecular Formula: C148H186F10N2O21S10+4
• Molecular Weight: 2839.76 g/mol
• Exact Mass: 2837.06
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)
• SMILES: CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(F)(F)C(=O)CC1CCCCC1.CCCNC(=O)C(F)(F)S(=O)(=O)[O-].O=C(CCC1CCCCC1)C(F)(F)S(=O)(=O)O.O=C(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
• InChI: InChI=1S/C21H27OS.C20H23OS2.C20H29OS.2C18H15S.C13H19F2NO4S.C13H18F2O5S.C10H16F2O4S.C10H16F2O.C5H9F2NO4S/c1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(18,19)20)11(17)16-7-12-4-8-1-9(5-12)3-10(2-8)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;11-10(12,17(14,15)16)9(13)7-6-8-4-2-1-3-5-8;1-10(11,12)9(13)7-8-5-3-2-4-6-8;1-2-3-8-4(9)5(6,7)13(10,11)12/h4-5,10-13,17H,1-3,6-9,14-16H2;3-5,8-13H,6-7,14-15H2,1-2H3;10-13,16H,3-9,14-15H2,1-2H3;2*1-15H;8-10H,1-7H2,(H,16,17)(H,18,19,20);8-10H,1-7H2,(H,17,18,19);8H,1-7H2,(H,14,15,16);8H,2-7H2,1H3;2-3H2,1H3,(H,8,9)(H,10,11,12)/q5*+1;;;;;/p-1
• InChIKey: JCXKOGLIMDGYDW-UHFFFAOYSA-M
• XLogP: 34.71
• TPSA: 382.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2839.76
LogP ≤ 5	34.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'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-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) (CID 158879995) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(F)(F)C(=O)CC1CCCCC1.CCCNC(=O)C(F)(F)S(=O)(=O)[O-].O=C(CCC1CCCCC1)C(F)(F)S(=O)(=O)O.O=C(NCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?

The InChIKey is JCXKOGLIMDGYDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H27OS.C20H23OS2.C20H29OS.2C18H15S.C13H19F2NO4S.C13H18F2O5S.C10H16F2O4S.C10H16F2O.C5H9F2NO4S/c1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(18,19)20)11(17)16-7-12-4-8-1-9(5-12)3-10(2-8)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;11-10(12,17(14,15)16)9(13)7-6-8-4-2-1-3-5-8;1-10(11,12)9(13)7-8-5-3-2-4-6-8;1-2-3-8-4(9)5(6,7)13(10,11)12/h4-5,10-13,17H,1-3,6-9,14-16H2;3-5,8-13H,6-7,14-15H2,1-2H3;10-13,16H,3-9,14-15H2,1-2H3;2*1-15H;8-10H,1-7H2,(H,16,17)(H,18,19,20);8-10H,1-7H2,(H,17,18,19);8H,1-7H2,(H,14,15,16);8H,2-7H2,1H3;2-3H2,1H3,(H,8,9)(H,10,11,12)/q5*+1;;;;;/p-1.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) has a molecular weight of 2839.76 g/mol, XLogP of 34.71, 39 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfonic acid;1-cyclohexyl-3,3-difluorobutan-2-one;4-cyclohexyl-1,1-difluoro-2-oxobutane-1-sulfonic acid;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(propylamino)ethanesulfonate;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium) is sourced from PubChem (CID 158879995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).