2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate

C80H106F25O40S5-5 — CID 160729946

About 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate

2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate (PubChem CID 160729946) has the molecular formula C80H106F25O40S5-5 and a molecular weight of 2342.97 g/mol. Its IUPAC name is 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate.

Molecular Properties

• Compound Name: 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate
• PubChem CID: 160729946
• Molecular Formula: C80H106F25O40S5-5
• Molecular Weight: 2342.97 g/mol
• Exact Mass: 2341.45
• IUPAC Name: 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate
• SMILES: C=COC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.CC(C)(C)OC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.CC(C)COC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.CCCCOC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.O=C(OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC1CCCCC1)C(F)(F)F)C1CCCCC1
• InChI: InChI=1S/C18H25F5O8S.3C16H23F5O8S.C14H17F5O8S/c19-16(20,32(26,27)28)11-29-17(18(21,22)23,15(25)30-13-9-5-2-6-10-13)31-14(24)12-7-3-1-4-8-12;1-13(2,3)29-12(23)15(16(19,20)21,27-9-14(17,18)30(24,25)26)28-11(22)10-7-5-4-6-8-10;1-10(2)8-27-13(23)15(16(19,20)21,28-9-14(17,18)30(24,25)26)29-12(22)11-6-4-3-5-7-11;1-2-3-9-27-13(23)15(16(19,20)21,28-10-14(17,18)30(24,25)26)29-12(22)11-7-5-4-6-8-11;1-2-25-11(21)13(14(17,18)19,26-8-12(15,16)28(22,23)24)27-10(20)9-6-4-3-5-7-9/h12-13H,1-11H2,(H,26,27,28);10H,4-9H2,1-3H3,(H,24,25,26);10-11H,3-9H2,1-2H3,(H,24,25,26);11H,2-10H2,1H3,(H,24,25,26);2,9H,1,3-8H2,(H,22,23,24)/p-5
• InChIKey: RUEXLWPYILDKSN-UHFFFAOYSA-I
• XLogP: 14.06
• TPSA: 595.15 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2342.97
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate?

The IUPAC name of 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate (CID 160729946) is 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate.

What is the SMILES notation for 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate?

The canonical SMILES for 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate is C=COC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.CC(C)(C)OC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.CC(C)COC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.CCCCOC(=O)C(OCC(F)(F)S(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.O=C(OC(OCC(F)(F)S(=O)(=O)[O-])(C(=O)OC1CCCCC1)C(F)(F)F)C1CCCCC1.

What is the InChIKey of 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate?

The InChIKey is RUEXLWPYILDKSN-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H25F5O8S.3C16H23F5O8S.C14H17F5O8S/c19-16(20,32(26,27)28)11-29-17(18(21,22)23,15(25)30-13-9-5-2-6-10-13)31-14(24)12-7-3-1-4-8-12;1-13(2,3)29-12(23)15(16(19,20)21,27-9-14(17,18)30(24,25)26)28-11(22)10-7-5-4-6-8-10;1-10(2)8-27-13(23)15(16(19,20)21,28-9-14(17,18)30(24,25)26)29-12(22)11-6-4-3-5-7-11;1-2-3-9-27-13(23)15(16(19,20)21,28-10-14(17,18)30(24,25)26)29-12(22)11-7-5-4-6-8-11;1-2-25-11(21)13(14(17,18)19,26-8-12(15,16)28(22,23)24)27-10(20)9-6-4-3-5-7-9/h12-13H,1-11H2,(H,26,27,28);10H,4-9H2,1-3H3,(H,24,25,26);10-11H,3-9H2,1-2H3,(H,24,25,26);11H,2-10H2,1H3,(H,24,25,26);2,9H,1,3-8H2,(H,22,23,24)/p-5.

What are the key properties of 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate?

2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate has a molecular weight of 2342.97 g/mol, XLogP of 14.06, 42 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-butoxy-2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-cyclohexyloxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-3-ethenoxy-1,1,1-trifluoro-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate;2-[2-(cyclohexanecarbonyloxy)-1,1,1-trifluoro-3-(2-methylpropoxy)-3-oxopropan-2-yl]oxy-1,1-difluoroethanesulfonate is sourced from PubChem (CID 160729946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).