2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate

C114H117F16I7O37-8 — CID 164980220

About 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate

2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate (PubChem CID 164980220) has the molecular formula C114H117F16I7O37-8 and a molecular weight of 3271.45 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate.

Molecular Properties

• Compound Name: 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate
• PubChem CID: 164980220
• Molecular Formula: C114H117F16I7O37-8
• Molecular Weight: 3271.45 g/mol
• Exact Mass: 3270.04
• IUPAC Name: 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate
• SMILES: CC(C)C(OC(=O)c1cc(I)cc(I)c1I)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1cc(I)cc(I)c1O)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1cc(I)ccc1O)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(I)cc1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(O)cc1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(OC(C)(C)C)cc1)C(F)(F)C(=O)[O-].CCC(C)(C)Oc1ccc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])cc1.Cc1ccc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])cc1
• InChI: InChI=1S/C18H24F2O5.C17H22F2O5.C14H16F2O4.C13H11F2I3O4.C13H12F2I2O5.C13H13F2IO5.C13H13F2IO4.C13H14F2O5/c1-6-17(4,5)25-13-9-7-12(8-10-13)15(21)24-14(11(2)3)18(19,20)16(22)23;1-10(2)13(17(18,19)15(21)22)23-14(20)11-6-8-12(9-7-11)24-16(3,4)5;1-8(2)11(14(15,16)13(18)19)20-12(17)10-6-4-9(3)5-7-10;2*1-5(2)10(13(14,15)12(20)21)22-11(19)7-3-6(16)4-8(17)9(7)18;1-6(2)10(13(14,15)12(19)20)21-11(18)8-5-7(16)3-4-9(8)17;2*1-7(2)10(13(14,15)12(18)19)20-11(17)8-3-5-9(16)6-4-8/h7-11,14H,6H2,1-5H3,(H,22,23);6-10,13H,1-5H3,(H,21,22);4-8,11H,1-3H3,(H,18,19);3-5,10H,1-2H3,(H,20,21);3-5,10,18H,1-2H3,(H,20,21);3-6,10,17H,1-2H3,(H,19,20);3-7,10H,1-2H3,(H,18,19);3-7,10,16H,1-2H3,(H,18,19)/p-8
• InChIKey: FJJDUDUBSKVFEB-UHFFFAOYSA-F
• XLogP: 16.43
• TPSA: 610.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 44
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3271.45
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate?

The IUPAC name of 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate (CID 164980220) is 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate.

What is the SMILES notation for 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate?

The canonical SMILES for 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate is CC(C)C(OC(=O)c1cc(I)cc(I)c1I)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1cc(I)cc(I)c1O)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1cc(I)ccc1O)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(I)cc1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(O)cc1)C(F)(F)C(=O)[O-].CC(C)C(OC(=O)c1ccc(OC(C)(C)C)cc1)C(F)(F)C(=O)[O-].CCC(C)(C)Oc1ccc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])cc1.Cc1ccc(C(=O)OC(C(C)C)C(F)(F)C(=O)[O-])cc1.

What is the InChIKey of 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate?

The InChIKey is FJJDUDUBSKVFEB-UHFFFAOYSA-F. The full InChI is InChI=1S/C18H24F2O5.C17H22F2O5.C14H16F2O4.C13H11F2I3O4.C13H12F2I2O5.C13H13F2IO5.C13H13F2IO4.C13H14F2O5/c1-6-17(4,5)25-13-9-7-12(8-10-13)15(21)24-14(11(2)3)18(19,20)16(22)23;1-10(2)13(17(18,19)15(21)22)23-14(20)11-6-8-12(9-7-11)24-16(3,4)5;1-8(2)11(14(15,16)13(18)19)20-12(17)10-6-4-9(3)5-7-10;2*1-5(2)10(13(14,15)12(20)21)22-11(19)7-3-6(16)4-8(17)9(7)18;1-6(2)10(13(14,15)12(19)20)21-11(18)8-5-7(16)3-4-9(8)17;2*1-7(2)10(13(14,15)12(18)19)20-11(17)8-3-5-9(16)6-4-8/h7-11,14H,6H2,1-5H3,(H,22,23);6-10,13H,1-5H3,(H,21,22);4-8,11H,1-3H3,(H,18,19);3-5,10H,1-2H3,(H,20,21);3-5,10,18H,1-2H3,(H,20,21);3-6,10,17H,1-2H3,(H,19,20);3-7,10H,1-2H3,(H,18,19);3-7,10,16H,1-2H3,(H,18,19)/p-8.

What are the key properties of 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate?

2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate has a molecular weight of 3271.45 g/mol, XLogP of 16.43, 44 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-3-(4-hydroxybenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-3,5-diiodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(2-hydroxy-5-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-3-(4-iodobenzoyl)oxy-4-methylpentanoate;2,2-difluoro-4-methyl-3-(4-methylbenzoyl)oxypentanoate;2,2-difluoro-4-methyl-3-[4-(2-methylbutan-2-yloxy)benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxypentanoate;2,2-difluoro-4-methyl-3-(2,3,5-triiodobenzoyl)oxypentanoate is sourced from PubChem (CID 164980220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).