(2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

C26H19F11N2O2 — CID 89418660

About (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

(2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 89418660) has the molecular formula C26H19F11N2O2 and a molecular weight of 600.43 g/mol. Its IUPAC name is (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
• PubChem CID: 89418660
• Molecular Formula: C26H19F11N2O2
• Molecular Weight: 600.43 g/mol
• Exact Mass: 600.13
• IUPAC Name: (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
• SMILES: O[C@H](CN1c2c(ccc(F)c2F)N(Cc2cccc(OC(F)(F)F)c2)CC1c1cccc(C(F)(F)F)c1)C(F)(F)F
• InChI: InChI=1S/C26H19F11N2O2/c27-18-7-8-19-23(22(18)28)39(13-21(40)25(32,33)34)20(15-4-2-5-16(10-15)24(29,30)31)12-38(19)11-14-3-1-6-17(9-14)41-26(35,36)37/h1-10,20-21,40H,11-13H2/t20?,21-/m1/s1
• InChIKey: SNRYUJSIEGLRIQ-BPGUCPLFSA-N
• XLogP: 7.37
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.43
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

The IUPAC name of (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 89418660) is (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.

What is the SMILES notation for (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

The canonical SMILES for (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is O[C@H](CN1c2c(ccc(F)c2F)N(Cc2cccc(OC(F)(F)F)c2)CC1c1cccc(C(F)(F)F)c1)C(F)(F)F.

What is the InChIKey of (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

The InChIKey is SNRYUJSIEGLRIQ-BPGUCPLFSA-N. The full InChI is InChI=1S/C26H19F11N2O2/c27-18-7-8-19-23(22(18)28)39(13-21(40)25(32,33)34)20(15-4-2-5-16(10-15)24(29,30)31)12-38(19)11-14-3-1-6-17(9-14)41-26(35,36)37/h1-10,20-21,40H,11-13H2/t20?,21-/m1/s1.

What are the key properties of (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

(2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 600.43 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[7,8-difluoro-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 89418660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).