(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C26H24F6N2O3 — CID 71532160

About (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 71532160) has the molecular formula C26H24F6N2O3 and a molecular weight of 526.48 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 71532160
• Molecular Formula: C26H24F6N2O3
• Molecular Weight: 526.48 g/mol
• Exact Mass: 526.17
• IUPAC Name: (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• SMILES: COc1ccc([C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1
• InChI: InChI=1S/C26H24F6N2O3/c1-36-19-11-9-18(10-12-19)23-15-33(14-17-5-4-6-20(13-17)37-26(30,31)32)21-7-2-3-8-22(21)34(23)16-24(35)25(27,28)29/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1
• InChIKey: HATUXIHSJUTYMU-BJKOFHAPSA-N
• XLogP: 6.08
• TPSA: 45.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.48
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 71532160) is (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is COc1ccc([C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1.

What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The InChIKey is HATUXIHSJUTYMU-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H24F6N2O3/c1-36-19-11-9-18(10-12-19)23-15-33(14-17-5-4-6-20(13-17)37-26(30,31)32)21-7-2-3-8-22(21)34(23)16-24(35)25(27,28)29/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1.

What are the key properties of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 526.48 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methoxyphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 71532160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).