(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C25H20F9N3O2 — CID 71531914

About (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 71531914) has the molecular formula C25H20F9N3O2 and a molecular weight of 565.44 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 71531914
• Molecular Formula: C25H20F9N3O2
• Molecular Weight: 565.44 g/mol
• Exact Mass: 565.14
• IUPAC Name: (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• SMILES: O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1ccc(C(F)(F)F)nc1)C(F)(F)F
• InChI: InChI=1S/C25H20F9N3O2/c26-23(27,28)21-9-8-16(11-35-21)20-13-36(12-15-4-3-5-17(10-15)39-25(32,33)34)18-6-1-2-7-19(18)37(20)14-22(38)24(29,30)31/h1-11,20,22,38H,12-14H2/t20-,22+/m0/s1
• InChIKey: UKFFVMSHMQMHGK-RBBKRZOGSA-N
• XLogP: 6.49
• TPSA: 48.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.44
LogP ≤ 5	6.49
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)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 71531914) is (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1ccc(C(F)(F)F)nc1)C(F)(F)F.

What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The InChIKey is UKFFVMSHMQMHGK-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H20F9N3O2/c26-23(27,28)21-9-8-16(11-35-21)20-13-36(12-15-4-3-5-17(10-15)39-25(32,33)34)18-6-1-2-7-19(18)37(20)14-22(38)24(29,30)31/h1-11,20,22,38H,12-14H2/t20-,22+/m0/s1.

What are the key properties of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 565.44 g/mol, XLogP of 6.49, 6 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)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 71531914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).