bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol

C28H27F2NO4 — CID 46015956

About bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol

bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 46015956) has the molecular formula C28H27F2NO4 and a molecular weight of 479.52 g/mol. Its IUPAC name is bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

• Compound Name: bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
• PubChem CID: 46015956
• Molecular Formula: C28H27F2NO4
• Molecular Weight: 479.52 g/mol
• Exact Mass: 479.19
• IUPAC Name: bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
• SMILES: OC(c1cccc(F)c1)(c1cccc(F)c1)c1ccc(CN(Cc2ccco2)CC2CCCO2)o1
• InChI: InChI=1S/C28H27F2NO4/c29-22-7-1-5-20(15-22)28(32,21-6-2-8-23(30)16-21)27-12-11-26(35-27)19-31(17-24-9-3-13-33-24)18-25-10-4-14-34-25/h1-3,5-9,11-13,15-16,25,32H,4,10,14,17-19H2
• InChIKey: CDOLZFVHDQTHPL-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 58.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.52
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

The IUPAC name of bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol (CID 46015956) is bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol.

What is the SMILES notation for bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

The canonical SMILES for bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol is OC(c1cccc(F)c1)(c1cccc(F)c1)c1ccc(CN(Cc2ccco2)CC2CCCO2)o1.

What is the InChIKey of bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

The InChIKey is CDOLZFVHDQTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2NO4/c29-22-7-1-5-20(15-22)28(32,21-6-2-8-23(30)16-21)27-12-11-26(35-27)19-31(17-24-9-3-13-33-24)18-25-10-4-14-34-25/h1-3,5-9,11-13,15-16,25,32H,4,10,14,17-19H2.

What are the key properties of bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?

bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 479.52 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-fluorophenyl)-[5-[[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46015956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).