[7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate

C38H34F2O10 — CID 89072714

About [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate

[7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate (PubChem CID 89072714) has the molecular formula C38H34F2O10 and a molecular weight of 688.68 g/mol. Its IUPAC name is [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate.

Molecular Properties

• Compound Name: [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate
• PubChem CID: 89072714
• Molecular Formula: C38H34F2O10
• Molecular Weight: 688.68 g/mol
• Exact Mass: 688.21
• IUPAC Name: [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate
• SMILES: CC(OCC1CO1)Oc1ccc(C(=O)Oc2ccc3c(c2)C(C)c2cc(OC(=O)c4ccc(OC(C)OCC5CO5)cc4F)ccc2-3)c(F)c1
• InChI: InChI=1S/C38H34F2O10/c1-20-33-12-23(49-37(41)31-10-6-25(14-35(31)39)47-21(2)43-16-27-18-45-27)4-8-29(33)30-9-5-24(13-34(20)30)50-38(42)32-11-7-26(15-36(32)40)48-22(3)44-17-28-19-46-28/h4-15,20-22,27-28H,16-19H2,1-3H3
• InChIKey: KIOIIAAPIJESBJ-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 114.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.68
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate?

The IUPAC name of [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate (CID 89072714) is [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate.

What is the SMILES notation for [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate?

The canonical SMILES for [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate is CC(OCC1CO1)Oc1ccc(C(=O)Oc2ccc3c(c2)C(C)c2cc(OC(=O)c4ccc(OC(C)OCC5CO5)cc4F)ccc2-3)c(F)c1.

What is the InChIKey of [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate?

The InChIKey is KIOIIAAPIJESBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F2O10/c1-20-33-12-23(49-37(41)31-10-6-25(14-35(31)39)47-21(2)43-16-27-18-45-27)4-8-29(33)30-9-5-24(13-34(20)30)50-38(42)32-11-7-26(15-36(32)40)48-22(3)44-17-28-19-46-28/h4-15,20-22,27-28H,16-19H2,1-3H3.

What are the key properties of [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate?

[7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate has a molecular weight of 688.68 g/mol, XLogP of 6.82, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoyl]oxy-9-methyl-9H-fluoren-2-yl] 2-fluoro-4-[1-(oxiran-2-ylmethoxy)ethoxy]benzoate is sourced from PubChem (CID 89072714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).