(2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C109H95F25N8O9 — CID 162207814

About (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 162207814) has the molecular formula C109H95F25N8O9 and a molecular weight of 2135.96 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 162207814
• Molecular Formula: C109H95F25N8O9
• Molecular Weight: 2135.96 g/mol
• Exact Mass: 2134.68
• IUPAC Name: (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-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.Cc1ccc([C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1.O[C@H](CN1c2ccccc2N(C2C=Cc3ccccc32)CC1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1cccc2ccccc12)C(F)(F)F
• InChI: InChI=1S/C29H24F6N2O2.C28H23F7N2O2.C26H24F6N2O3.C26H24F6N2O2/c30-28(31,32)27(38)18-37-25-14-4-3-13-24(25)36(16-19-7-5-10-21(15-19)39-29(33,34)35)17-26(37)23-12-6-9-20-8-1-2-11-22(20)23;29-26(30)28(34,35)39-19-8-5-7-18(14-19)24-15-36(21-13-12-17-6-1-2-9-20(17)21)22-10-3-4-11-23(22)37(24)16-25(38)27(31,32)33;1-36-19-11-9-18(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;1-17-9-11-19(12-10-17)23-15-33(14-18-5-4-6-20(13-18)36-26(30,31)32)21-7-2-3-8-22(21)34(23)16-24(35)25(27,28)29/h1-15,26-27,38H,16-18H2;1-14,21,24-26,38H,15-16H2;2-13,23-24,35H,14-16H2,1H3;2-13,23-24,35H,14-16H2,1H3/t26-,27+;21?,24?,25-;2*23-,24+/m0100/s1
• InChIKey: ZSLAOOIKGHQNHD-UXVAZQIZSA-N
• XLogP: 26.68
• TPSA: 152.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.96
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The IUPAC name of (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 162207814) is (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-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-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-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.Cc1ccc([C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1.O[C@H](CN1c2ccccc2N(C2C=Cc3ccccc32)CC1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1cccc2ccccc12)C(F)(F)F.

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

The InChIKey is ZSLAOOIKGHQNHD-UXVAZQIZSA-N. The full InChI is InChI=1S/C29H24F6N2O2.C28H23F7N2O2.C26H24F6N2O3.C26H24F6N2O2/c30-28(31,32)27(38)18-37-25-14-4-3-13-24(25)36(16-19-7-5-10-21(15-19)39-29(33,34)35)17-26(37)23-12-6-9-20-8-1-2-11-22(20)23;29-26(30)28(34,35)39-19-8-5-7-18(14-19)24-15-36(21-13-12-17-6-1-2-9-20(17)21)22-10-3-4-11-23(22)37(24)16-25(38)27(31,32)33;1-36-19-11-9-18(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;1-17-9-11-19(12-10-17)23-15-33(14-18-5-4-6-20(13-18)36-26(30,31)32)21-7-2-3-8-22(21)34(23)16-24(35)25(27,28)29/h1-15,26-27,38H,16-18H2;1-14,21,24-26,38H,15-16H2;2-13,23-24,35H,14-16H2,1H3;2-13,23-24,35H,14-16H2,1H3/t26-,27+;21?,24?,25-;2*23-,24+/m0100/s1.

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

(2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 2135.96 g/mol, XLogP of 26.68, 26 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1,1,1-trifluoro-3-[4-(1H-inden-1-yl)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-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;(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 162207814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).