2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)

C129H148F13N2O16S9+3 — CID 162087970

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium) (PubChem CID 162087970) has the molecular formula C129H148F13N2O16S9+3 and a molecular weight of 2518.18 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)
• PubChem CID: 162087970
• Molecular Formula: C129H148F13N2O16S9+3
• Molecular Weight: 2518.18 g/mol
• Exact Mass: 2515.81
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)
• SMILES: CC(C)(C)Oc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)OS)cc1.CC(F)(F)C(=O)OC1C2CC3CC(C2)CC1C3.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.[SH2+]c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/3C18H15S.C16H26.C14H17F5O5S.C13H14F6O5S2.C13H18F2O2.C13H22N2O4S2.C6H6S/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;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;1-10(2,3)22-8-4-6-9(7-5-8)23-26(20,21)13(18,19)11(14,15)12(16,17)24-25;1-13(14,15)12(16)17-11-9-3-7-2-8(5-9)6-10(11)4-7;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h3*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);4-7,25H,1-3H3;7-11H,2-6H2,1H3;11-12H,1-10H2;1-5,7H/q3*+1
• InChIKey: ZDFJLAHQRIUFOC-UHFFFAOYSA-N
• XLogP: 32.91
• TPSA: 276.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.18
LogP ≤ 5	32.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium) (CID 162087970) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium) is CC(C)(C)Oc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)OS)cc1.CC(F)(F)C(=O)OC1C2CC3CC(C2)CC1C3.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.[SH2+]c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)?

The InChIKey is ZDFJLAHQRIUFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15S.C16H26.C14H17F5O5S.C13H14F6O5S2.C13H18F2O2.C13H22N2O4S2.C6H6S/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;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;1-10(2,3)22-8-4-6-9(7-5-8)23-26(20,21)13(18,19)11(14,15)12(16,17)24-25;1-13(14,15)12(16)17-11-9-3-7-2-8(5-9)6-10(11)4-7;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h3*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);4-7,25H,1-3H3;7-11H,2-6H2,1H3;11-12H,1-10H2;1-5,7H/q3*+1;;;;;;.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium) has a molecular weight of 2518.18 g/mol, XLogP of 32.91, 27 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropane-1-sulfonate;2-methyl-1,3,5-tri(propan-2-yl)benzene;phenylsulfanium;tris(triphenylsulfanium) is sourced from PubChem (CID 162087970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).