(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C102H91F25N8O8 — CID 158089954

About (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 158089954) has the molecular formula C102H91F25N8O8 and a molecular weight of 2031.85 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 158089954
• Molecular Formula: C102H91F25N8O8
• Molecular Weight: 2031.85 g/mol
• Exact Mass: 2030.66
• IUPAC Name: (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• SMILES: Cc1cc(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)cc(OC(F)(F)F)c1.O[C@@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1ccccc1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@H]1c1ccccc1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C26H23F7N2O2.C26H24F6N2O2.2C25H22F6N2O2/c27-24(28)26(32,33)37-19-10-6-7-17(13-19)14-34-15-22(18-8-2-1-3-9-18)35(16-23(36)25(29,30)31)21-12-5-4-11-20(21)34;1-17-11-18(13-20(12-17)36-26(30,31)32)14-33-15-23(19-7-3-2-4-8-19)34(16-24(35)25(27,28)29)22-10-6-5-9-21(22)33;2*26-24(27,28)23(34)16-33-21-12-5-4-11-20(21)32(15-22(33)18-8-2-1-3-9-18)14-17-7-6-10-19(13-17)35-25(29,30)31/h1-13,22-24,36H,14-16H2;2-13,23-24,35H,14-16H2,1H3;2*1-13,22-23,34H,14-16H2/t22-,23+;23-,24+;22-,23+;22-,23-/m0000/s1
• InChIKey: FNZCEKKPFYVTNU-NLDUAPIBSA-N
• XLogP: 24.95
• TPSA: 143.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2031.85
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 158089954) is (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-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)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is Cc1cc(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)cc(OC(F)(F)F)c1.O[C@@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1ccccc1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@H]1c1ccccc1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1ccccc1)C(F)(F)F.

What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The InChIKey is FNZCEKKPFYVTNU-NLDUAPIBSA-N. The full InChI is InChI=1S/C26H23F7N2O2.C26H24F6N2O2.2C25H22F6N2O2/c27-24(28)26(32,33)37-19-10-6-7-17(13-19)14-34-15-22(18-8-2-1-3-9-18)35(16-23(36)25(29,30)31)21-12-5-4-11-20(21)34;1-17-11-18(13-20(12-17)36-26(30,31)32)14-33-15-23(19-7-3-2-4-8-19)34(16-24(35)25(27,28)29)22-10-6-5-9-21(22)33;2*26-24(27,28)23(34)16-33-21-12-5-4-11-20(21)32(15-22(33)18-8-2-1-3-9-18)14-17-7-6-10-19(13-17)35-25(29,30)31/h1-13,22-24,36H,14-16H2;2-13,23-24,35H,14-16H2,1H3;2*1-13,22-23,34H,14-16H2/t22-,23+;23-,24+;22-,23+;22-,23-/m0000/s1.

What are the key properties of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 2031.85 g/mol, XLogP of 24.95, 26 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2S)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-phenyl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 158089954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).