2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane

C101H177F20O53S7-7 — CID 161313604

About 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane

2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane (PubChem CID 161313604) has the molecular formula C101H177F20O53S7-7 and a molecular weight of 2843.90 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane.

Molecular Properties

• Compound Name: 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane
• PubChem CID: 161313604
• Molecular Formula: C101H177F20O53S7-7
• Molecular Weight: 2843.90 g/mol
• Exact Mass: 2841.89
• IUPAC Name: 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane
• SMILES: C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)(OCC(F)(F)S(=O)(=O)[O-])C(=O)OC.CCC(C)(C)C(=O)OC(C)(OCC(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.CCC(C)(C)C(=O)OC(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCOC(=O)C(C)(OCC(F)(F)S(=O)(=O)[O-])OC(=O)C(C)(C)CC.CCOC(=O)C(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])OC(=O)C(C)(C)CC
• InChI: InChI=1S/C17H28F4O8S.C15H24F4O8S.C15H26F2O8S.C14H22F4O8S.C13H22F2O8S.C12H20F2O8S.C8H14F2O5S.7CH4/c1-8-14(5,6)11(22)29-15(7,12(23)28-13(2,3)4)27-10-9-16(18,19)17(20,21)30(24,25)26;1-6-12(3,4)10(20)27-13(5,11(21)25-7-2)26-9-8-14(16,17)15(18,19)28(22,23)24;1-8-13(5,6)10(18)25-14(7,11(19)24-12(2,3)4)23-9-15(16,17)26(20,21)22;1-6-11(2,3)9(19)26-12(4,10(20)24-5)25-8-7-13(15,16)14(17,18)27(21,22)23;1-6-11(3,4)9(16)23-12(5,10(17)21-7-2)22-8-13(14,15)24(18,19)20;1-6-10(2,3)8(15)22-11(4,9(16)20-5)21-7-12(13,14)23(17,18)19;1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;;;;;;;/h8-10H2,1-7H3,(H,24,25,26);6-9H2,1-5H3,(H,22,23,24);8-9H2,1-7H3,(H,20,21,22);6-8H2,1-5H3,(H,21,22,23);6-8H2,1-5H3,(H,18,19,20);6-7H2,1-5H3,(H,17,18,19);4-5H2,1-3H3,(H,12,13,14);7*1H4/p-7
• InChIKey: VJFDGMOHDLZRPB-UHFFFAOYSA-G
• XLogP: 17.81
• TPSA: 797.68 Ų
• H-Bond Acceptors: 53
• Rotatable Bonds: 61
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2843.90
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane?

The IUPAC name of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane (CID 161313604) is 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane.

What is the SMILES notation for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane?

The canonical SMILES for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane is C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)(OCC(F)(F)S(=O)(=O)[O-])C(=O)OC.CCC(C)(C)C(=O)OC(C)(OCC(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.CCC(C)(C)C(=O)OC(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCOC(=O)C(C)(OCC(F)(F)S(=O)(=O)[O-])OC(=O)C(C)(C)CC.CCOC(=O)C(C)(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])OC(=O)C(C)(C)CC.

What is the InChIKey of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane?

The InChIKey is VJFDGMOHDLZRPB-UHFFFAOYSA-G. The full InChI is InChI=1S/C17H28F4O8S.C15H24F4O8S.C15H26F2O8S.C14H22F4O8S.C13H22F2O8S.C12H20F2O8S.C8H14F2O5S.7CH4/c1-8-14(5,6)11(22)29-15(7,12(23)28-13(2,3)4)27-10-9-16(18,19)17(20,21)30(24,25)26;1-6-12(3,4)10(20)27-13(5,11(21)25-7-2)26-9-8-14(16,17)15(18,19)28(22,23)24;1-8-13(5,6)10(18)25-14(7,11(19)24-12(2,3)4)23-9-15(16,17)26(20,21)22;1-6-11(2,3)9(19)26-12(4,10(20)24-5)25-8-7-13(15,16)14(17,18)27(21,22)23;1-6-11(3,4)9(16)23-12(5,10(17)21-7-2)22-8-13(14,15)24(18,19)20;1-6-10(2,3)8(15)22-11(4,9(16)20-5)21-7-12(13,14)23(17,18)19;1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;;;;;;;/h8-10H2,1-7H3,(H,24,25,26);6-9H2,1-5H3,(H,22,23,24);8-9H2,1-7H3,(H,20,21,22);6-8H2,1-5H3,(H,21,22,23);6-8H2,1-5H3,(H,18,19,20);6-7H2,1-5H3,(H,17,18,19);4-5H2,1-3H3,(H,12,13,14);7*1H4/p-7.

What are the key properties of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane?

2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane has a molecular weight of 2843.90 g/mol, XLogP of 17.81, 61 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-ethoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-methoxy-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;4-[2-(2,2-dimethylbutanoyloxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;methane is sourced from PubChem (CID 161313604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).