2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate

C103H122F25O36S8-7 — CID 159389522

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate (PubChem CID 159389522) has the molecular formula C103H122F25O36S8-7 and a molecular weight of 2667.56 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate.

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate
• PubChem CID: 159389522
• Molecular Formula: C103H122F25O36S8-7
• Molecular Weight: 2667.56 g/mol
• Exact Mass: 2665.51
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate
• SMILES: CCC(CC)(CC)C(=O)OC(F)(F)C(C)(F)F.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=S(=O)(OCC(F)(F)S(=O)(=O)[O-])c1ccc2c(c1)oc1ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccc2ccccc2c1.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C15H21F3O5S.C14H17F5O5S.C14H10F2O7S2.C13H10F4O4S.C13H18F2O5S.C12H18F2O3S.C11H18F4O2.C11H17F3O5S/c16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;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;15-14(16,25(19,20)21)8-22-24(17,18)9-5-6-11-10-3-1-2-4-12(10)23-13(11)7-9;14-12(15,13(16,17)22(18,19)20)21-8-9-5-6-10-3-1-2-4-11(10)7-9;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-5-10(6-2,7-3)8(16)17-11(14,15)9(4,12)13;12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8/h9-12H,1-8H2,(H,20,21,22);7-10H,1-6H2,(H,21,22,23);1-7H,8H2,(H,19,20,21);1-7H,8H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);8-10H,1-7H2,(H,15,16,17);5-7H2,1-4H3;8-9H,1-7H2,(H,16,17,18)/p-7
• InChIKey: LLXXQMYUTPSSNU-UHFFFAOYSA-G
• XLogP: 21.53
• TPSA: 597.64 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2667.56
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate (CID 159389522) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate.

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate is CCC(CC)(CC)C(=O)OC(F)(F)C(C)(F)F.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=S(=O)(OCC(F)(F)S(=O)(=O)[O-])c1ccc2c(c1)oc1ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccc2ccccc2c1.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate?

The InChIKey is LLXXQMYUTPSSNU-UHFFFAOYSA-G. The full InChI is InChI=1S/C15H21F3O5S.C14H17F5O5S.C14H10F2O7S2.C13H10F4O4S.C13H18F2O5S.C12H18F2O3S.C11H18F4O2.C11H17F3O5S/c16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;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;15-14(16,25(19,20)21)8-22-24(17,18)9-5-6-11-10-3-1-2-4-12(10)23-13(11)7-9;14-12(15,13(16,17)22(18,19)20)21-8-9-5-6-10-3-1-2-4-11(10)7-9;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-5-10(6-2,7-3)8(16)17-11(14,15)9(4,12)13;12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8/h9-12H,1-8H2,(H,20,21,22);7-10H,1-6H2,(H,21,22,23);1-7H,8H2,(H,19,20,21);1-7H,8H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);8-10H,1-7H2,(H,15,16,17);5-7H2,1-4H3;8-9H,1-7H2,(H,16,17,18)/p-7.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate has a molecular weight of 2667.56 g/mol, XLogP of 21.53, 39 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoropropyl 2,2-diethylbutanoate is sourced from PubChem (CID 159389522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).