2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate

C155H183F18O51-9 — CID 157169917

About 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate

2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate (PubChem CID 157169917) has the molecular formula C155H183F18O51-9 and a molecular weight of 3204.08 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate.

Molecular Properties

• Compound Name: 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate
• PubChem CID: 157169917
• Molecular Formula: C155H183F18O51-9
• Molecular Weight: 3204.08 g/mol
• Exact Mass: 3202.15
• IUPAC Name: 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate
• SMILES: CC(C)(C)OC(=O)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CC(C)(C)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CC1(Oc2ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc2)CCCC1.CC1(Oc2ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc2)CCCCC1.CCC(C)(C)OC(=O)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CCC(C)(C)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CCC1(Oc2ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc2)CCCC1.COC(Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1)C(C)C.COCOc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1
• InChI: InChI=1S/2C19H24F2O5.C18H22F2O7.C18H22F2O5.C17H20F2O7.C17H22F2O6.C17H22F2O5.C16H20F2O5.C14H16F2O6/c1-17(2,19(20,21)16(23)24)26-15(22)13-7-9-14(10-8-13)25-18(3)11-5-4-6-12-18;1-4-18(11-5-6-12-18)25-14-9-7-13(8-10-14)15(22)26-17(2,3)19(20,21)16(23)24;1-6-16(2,3)27-15(24)25-12-9-7-11(8-10-12)13(21)26-17(4,5)18(19,20)14(22)23;1-16(2,18(19,20)15(22)23)25-14(21)12-6-8-13(9-7-12)24-17(3)10-4-5-11-17;1-15(2,3)26-14(23)24-11-8-6-10(7-9-11)12(20)25-16(4,5)17(18,19)13(21)22;1-10(2)14(23-5)24-12-8-6-11(7-9-12)13(20)25-16(3,4)17(18,19)15(21)22;1-6-15(2,3)23-12-9-7-11(8-10-12)13(20)24-16(4,5)17(18,19)14(21)22;1-14(2,3)22-11-8-6-10(7-9-11)12(19)23-15(4,5)16(17,18)13(20)21;1-13(2,14(15,16)12(18)19)22-11(17)9-4-6-10(7-5-9)21-8-20-3/h2*7-10H,4-6,11-12H2,1-3H3,(H,23,24);7-10H,6H2,1-5H3,(H,22,23);6-9H,4-5,10-11H2,1-3H3,(H,22,23);6-9H,1-5H3,(H,21,22);6-10,14H,1-5H3,(H,21,22);7-10H,6H2,1-5H3,(H,21,22);6-9H,1-5H3,(H,20,21);4-7H,8H2,1-3H3,(H,18,19)/p-9
• InChIKey: ANIPBFDJTJKKIP-UHFFFAOYSA-E
• XLogP: 21.73
• TPSA: 752.00 Ų
• H-Bond Acceptors: 51
• Rotatable Bonds: 58
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3204.08
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	51

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': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate?

The IUPAC name of 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate (CID 157169917) is 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate.

What is the SMILES notation for 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate?

The canonical SMILES for 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate is CC(C)(C)OC(=O)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CC(C)(C)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CC1(Oc2ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc2)CCCC1.CC1(Oc2ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc2)CCCCC1.CCC(C)(C)OC(=O)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CCC(C)(C)Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.CCC1(Oc2ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc2)CCCC1.COC(Oc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1)C(C)C.COCOc1ccc(C(=O)OC(C)(C)C(F)(F)C(=O)[O-])cc1.

What is the InChIKey of 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate?

The InChIKey is ANIPBFDJTJKKIP-UHFFFAOYSA-E. The full InChI is InChI=1S/2C19H24F2O5.C18H22F2O7.C18H22F2O5.C17H20F2O7.C17H22F2O6.C17H22F2O5.C16H20F2O5.C14H16F2O6/c1-17(2,19(20,21)16(23)24)26-15(22)13-7-9-14(10-8-13)25-18(3)11-5-4-6-12-18;1-4-18(11-5-6-12-18)25-14-9-7-13(8-10-14)15(22)26-17(2,3)19(20,21)16(23)24;1-6-16(2,3)27-15(24)25-12-9-7-11(8-10-12)13(21)26-17(4,5)18(19,20)14(22)23;1-16(2,18(19,20)15(22)23)25-14(21)12-6-8-13(9-7-12)24-17(3)10-4-5-11-17;1-15(2,3)26-14(23)24-11-8-6-10(7-9-11)12(20)25-16(4,5)17(18,19)13(21)22;1-10(2)14(23-5)24-12-8-6-11(7-9-12)13(20)25-16(3,4)17(18,19)15(21)22;1-6-15(2,3)23-12-9-7-11(8-10-12)13(20)24-16(4,5)17(18,19)14(21)22;1-14(2,3)22-11-8-6-10(7-9-11)12(19)23-15(4,5)16(17,18)13(20)21;1-13(2,14(15,16)12(18)19)22-11(17)9-4-6-10(7-5-9)21-8-20-3/h2*7-10H,4-6,11-12H2,1-3H3,(H,23,24);7-10H,6H2,1-5H3,(H,22,23);6-9H,4-5,10-11H2,1-3H3,(H,22,23);6-9H,1-5H3,(H,21,22);6-10,14H,1-5H3,(H,21,22);7-10H,6H2,1-5H3,(H,21,22);6-9H,1-5H3,(H,20,21);4-7H,8H2,1-3H3,(H,18,19)/p-9.

What are the key properties of 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate?

2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate has a molecular weight of 3204.08 g/mol, XLogP of 21.73, 58 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-3-[4-(methoxymethoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-[4-(1-methoxy-2-methylpropoxy)benzoyl]oxy-3-methylbutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(2-methylbutan-2-yloxycarbonyloxy)benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclohexyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-(1-methylcyclopentyl)oxybenzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxybutanoate;2,2-difluoro-3-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]oxybutanoate;3-[4-(1-ethylcyclopentyl)oxybenzoyl]oxy-2,2-difluoro-3-methylbutanoate is sourced from PubChem (CID 157169917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).