bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol

C27H27F2NO2S — CID 46015500

About bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol

bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol (PubChem CID 46015500) has the molecular formula C27H27F2NO2S and a molecular weight of 467.58 g/mol. Its IUPAC name is bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol.

Molecular Properties

• Compound Name: bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol
• PubChem CID: 46015500
• Molecular Formula: C27H27F2NO2S
• Molecular Weight: 467.58 g/mol
• Exact Mass: 467.17
• IUPAC Name: bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol
• SMILES: CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)s1
• InChI: InChI=1S/C27H27F2NO2S/c1-3-14-30(18-25-12-10-19(2)33-25)17-24-11-13-26(32-24)27(31,20-6-4-8-22(28)15-20)21-7-5-9-23(29)16-21/h4-13,15-16,31H,3,14,17-18H2,1-2H3
• InChIKey: ZHUQBRVLRKBQKS-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 36.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol (CID 46015500) is bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol.

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

The canonical SMILES for bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol is CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)s1.

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

The InChIKey is ZHUQBRVLRKBQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2NO2S/c1-3-14-30(18-25-12-10-19(2)33-25)17-24-11-13-26(32-24)27(31,20-6-4-8-22(28)15-20)21-7-5-9-23(29)16-21/h4-13,15-16,31H,3,14,17-18H2,1-2H3.

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

bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol has a molecular weight of 467.58 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-fluorophenyl)-[5-[[(5-methylthiophen-2-yl)methyl-propylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 46015500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).