(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

C22H18F2O5 — CID 9475240

About (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (PubChem CID 9475240) has the molecular formula C22H18F2O5 and a molecular weight of 400.38 g/mol. Its IUPAC name is (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

Molecular Properties

• Compound Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
• PubChem CID: 9475240
• Molecular Formula: C22H18F2O5
• Molecular Weight: 400.38 g/mol
• Exact Mass: 400.11
• IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
• SMILES: O=C(CCc1ccc(-c2ccccc2F)o1)OCc1cc(F)cc2c1OCOC2
• InChI: InChI=1S/C22H18F2O5/c23-16-9-14-11-26-13-28-22(14)15(10-16)12-27-21(25)8-6-17-5-7-20(29-17)18-3-1-2-4-19(18)24/h1-5,7,9-10H,6,8,11-13H2
• InChIKey: FACAKOIDKMGMSO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 57.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.38
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

The IUPAC name of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (CID 9475240) is (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

What is the SMILES notation for (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

The canonical SMILES for (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is O=C(CCc1ccc(-c2ccccc2F)o1)OCc1cc(F)cc2c1OCOC2.

What is the InChIKey of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

The InChIKey is FACAKOIDKMGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2O5/c23-16-9-14-11-26-13-28-22(14)15(10-16)12-27-21(25)8-6-17-5-7-20(29-17)18-3-1-2-4-19(18)24/h1-5,7,9-10H,6,8,11-13H2.

What are the key properties of (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?

(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate has a molecular weight of 400.38 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is sourced from PubChem (CID 9475240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).