(2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C26H15F3O6 — CID 124876181

About (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124876181) has the molecular formula C26H15F3O6 and a molecular weight of 480.39 g/mol. Its IUPAC name is (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 124876181
• Molecular Formula: C26H15F3O6
• Molecular Weight: 480.39 g/mol
• Exact Mass: 480.08
• IUPAC Name: (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c2O/C(=C\c2ccc4c(c2)OCCO4)C3=O)O1
• InChI: InChI=1S/C26H15F3O6/c27-16-9-13(10-17(28)24(16)29)15-11-22(30)34-19-4-2-14-25(31)21(35-26(14)23(15)19)8-12-1-3-18-20(7-12)33-6-5-32-18/h1-4,7-10,15H,5-6,11H2/b21-8-/t15-/m1/s1
• InChIKey: FEDYOBAEGWLQOW-PMPIUGFUSA-N
• XLogP: 4.93
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.39
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124876181) is (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c2O/C(=C\c2ccc4c(c2)OCCO4)C3=O)O1.

What is the InChIKey of (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is FEDYOBAEGWLQOW-PMPIUGFUSA-N. The full InChI is InChI=1S/C26H15F3O6/c27-16-9-13(10-17(28)24(16)29)15-11-22(30)34-19-4-2-14-25(31)21(35-26(14)23(15)19)8-12-1-3-18-20(7-12)33-6-5-32-18/h1-4,7-10,15H,5-6,11H2/b21-8-/t15-/m1/s1.

What are the key properties of (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 480.39 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(3,4,5-trifluorophenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124876181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).