2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate

C115H138F18O30-6 — CID 158018027

About 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate

2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate (PubChem CID 158018027) has the molecular formula C115H138F18O30-6 and a molecular weight of 2342.30 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate.

Molecular Properties

• Compound Name: 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate
• PubChem CID: 158018027
• Molecular Formula: C115H138F18O30-6
• Molecular Weight: 2342.30 g/mol
• Exact Mass: 2340.90
• IUPAC Name: 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate
• SMILES: CC(C)C(OC(=O)c1ccc(F)c(OC(C)(C)C)c1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(F)c(OC2(C)CCCC2)c1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(F)c(OC2(C)CCCCC2)c1)C(F)(F)C(=O)[O-].CCC(C)(C)Oc1cc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])ccc1F.CCC1(Oc2cc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])ccc2F)CCCC1.CCC1(Oc2cc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])ccc2F)CCCCC1
• InChI: InChI=1S/C21H27F3O5.2C20H25F3O5.C19H23F3O5.C18H23F3O5.C17H21F3O5/c1-4-20(10-6-5-7-11-20)29-16-12-14(8-9-15(16)22)18(25)28-17(13(2)3)21(23,24)19(26)27;1-12(2)16(20(22,23)18(25)26)27-17(24)13-7-8-14(21)15(11-13)28-19(3)9-5-4-6-10-19;1-4-19(9-5-6-10-19)28-15-11-13(7-8-14(15)21)17(24)27-16(12(2)3)20(22,23)18(25)26;1-11(2)15(19(21,22)17(24)25)26-16(23)12-6-7-13(20)14(10-12)27-18(3)8-4-5-9-18;1-6-17(4,5)26-13-9-11(7-8-12(13)19)15(22)25-14(10(2)3)18(20,21)16(23)24;1-9(2)13(17(19,20)15(22)23)24-14(21)10-6-7-11(18)12(8-10)25-16(3,4)5/h8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,26,27);2*7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,25,26);6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,24,25);7-10,14H,6H2,1-5H3,(H,23,24);6-9,13H,1-5H3,(H,22,23)/p-6
• InChIKey: FFSDMVLSENYEKS-UHFFFAOYSA-H
• XLogP: 19.50
• TPSA: 453.96 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 44
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2342.30
LogP ≤ 5	19.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate?

The IUPAC name of 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate (CID 158018027) is 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate.

What is the SMILES notation for 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate?

The canonical SMILES for 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate is CC(C)C(OC(=O)c1ccc(F)c(OC(C)(C)C)c1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(F)c(OC2(C)CCCC2)c1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(F)c(OC2(C)CCCCC2)c1)C(F)(F)C(=O)[O-].CCC(C)(C)Oc1cc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])ccc1F.CCC1(Oc2cc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])ccc2F)CCCC1.CCC1(Oc2cc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])ccc2F)CCCCC1.

What is the InChIKey of 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate?

The InChIKey is FFSDMVLSENYEKS-UHFFFAOYSA-H. The full InChI is InChI=1S/C21H27F3O5.2C20H25F3O5.C19H23F3O5.C18H23F3O5.C17H21F3O5/c1-4-20(10-6-5-7-11-20)29-16-12-14(8-9-15(16)22)18(25)28-17(13(2)3)21(23,24)19(26)27;1-12(2)16(20(22,23)18(25)26)27-17(24)13-7-8-14(21)15(11-13)28-19(3)9-5-4-6-10-19;1-4-19(9-5-6-10-19)28-15-11-13(7-8-14(15)21)17(24)27-16(12(2)3)20(22,23)18(25)26;1-11(2)15(19(21,22)17(24)25)26-16(23)12-6-7-13(20)14(10-12)27-18(3)8-4-5-9-18;1-6-17(4,5)26-13-9-11(7-8-12(13)19)15(22)25-14(10(2)3)18(20,21)16(23)24;1-9(2)13(17(19,20)15(22)23)24-14(21)10-6-7-11(18)12(8-10)25-16(3,4)5/h8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,26,27);2*7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,25,26);6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,24,25);7-10,14H,6H2,1-5H3,(H,23,24);6-9,13H,1-5H3,(H,22,23)/p-6.

What are the key properties of 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate?

2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate has a molecular weight of 2342.30 g/mol, XLogP of 19.50, 44 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-3-[4-fluoro-3-(2-methylbutan-2-yloxy)benzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclohexyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-(1-methylcyclopentyl)oxybenzoyl]oxy-4-methylpentanoate;2,2-difluoro-3-[4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoyl]oxy-4-methylpentanoate;3-[3-(1-ethylcyclohexyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate;3-[3-(1-ethylcyclopentyl)oxy-4-fluorobenzoyl]oxy-2,2-difluoro-4-methylpentanoate is sourced from PubChem (CID 158018027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).