(2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C106H97F29N8O9 — CID 158972995

About (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 158972995) has the molecular formula C106H97F29N8O9 and a molecular weight of 2177.93 g/mol. Its IUPAC name is (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 158972995
• Molecular Formula: C106H97F29N8O9
• Molecular Weight: 2177.93 g/mol
• Exact Mass: 2176.69
• IUPAC Name: (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-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.O[C@H](CN1c2ccccc2N(CC2=CCCCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(CC2CCOCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1ccc(-c2ccccc2)cc1)C(F)(F)F
• InChI: InChI=1S/C31H26F6N2O2.C26H19F11N2O2.C25H26F6N2O2.C24H26F6N2O3/c32-30(33,34)29(40)20-39-27-12-5-4-11-26(27)38(18-21-7-6-10-25(17-21)41-31(35,36)37)19-28(39)24-15-13-23(14-16-24)22-8-2-1-3-9-22;27-18-7-8-19-23(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;26-24(27,28)23(34)16-33-21-12-5-4-11-20(21)32(14-17-7-2-1-3-8-17)15-22(33)18-9-6-10-19(13-18)35-25(29,30)31;25-23(26,27)22(33)15-32-20-7-2-1-6-19(20)31(13-16-8-10-34-11-9-16)14-21(32)17-4-3-5-18(12-17)35-24(28,29)30/h1-17,28-29,40H,18-20H2;1-10,20-21,40H,11-13H2;4-7,9-13,22-23,34H,1-3,8,14-16H2;1-7,12,16,21-22,33H,8-11,13-15H2/t28?,29-;20?,21-;22-,23+;21-,22+/m1100/s1
• InChIKey: JOAYOZRIMQBLRQ-STUGNHCOSA-N
• XLogP: 26.80
• TPSA: 152.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.93
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 158972995) is (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

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

The canonical SMILES for (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-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.O[C@H](CN1c2ccccc2N(CC2=CCCCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(CC2CCOCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1ccc(-c2ccccc2)cc1)C(F)(F)F.

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

The InChIKey is JOAYOZRIMQBLRQ-STUGNHCOSA-N. The full InChI is InChI=1S/C31H26F6N2O2.C26H19F11N2O2.C25H26F6N2O2.C24H26F6N2O3/c32-30(33,34)29(40)20-39-27-12-5-4-11-26(27)38(18-21-7-6-10-25(17-21)41-31(35,36)37)19-28(39)24-15-13-23(14-16-24)22-8-2-1-3-9-22;27-18-7-8-19-23(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;26-24(27,28)23(34)16-33-21-12-5-4-11-20(21)32(14-17-7-2-1-3-8-17)15-22(33)18-9-6-10-19(13-18)35-25(29,30)31;25-23(26,27)22(33)15-32-20-7-2-1-6-19(20)31(13-16-8-10-34-11-9-16)14-21(32)17-4-3-5-18(12-17)35-24(28,29)30/h1-17,28-29,40H,18-20H2;1-10,20-21,40H,11-13H2;4-7,9-13,22-23,34H,1-3,8,14-16H2;1-7,12,16,21-22,33H,8-11,13-15H2/t28?,29-;20?,21-;22-,23+;21-,22+/m1100/s1.

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

(2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 2177.93 g/mol, XLogP of 26.80, 25 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)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;(2R)-1,1,1-trifluoro-3-[(2R)-4-(oxan-4-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[2-(4-phenylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 158972995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).