(2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

C25H26F6N2O2 — CID 71532322

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-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71532322) has the molecular formula C25H26F6N2O2 and a molecular weight of 500.48 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.

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
• PubChem CID: 71532322
• Molecular Formula: C25H26F6N2O2
• Molecular Weight: 500.48 g/mol
• Exact Mass: 500.19
• IUPAC Name: (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
• SMILES: O[C@H](CN1c2ccccc2N(CC2=CCCCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F
• InChI: InChI=1S/C25H26F6N2O2/c26-24(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/h4-7,9-13,22-23,34H,1-3,8,14-16H2/t22-,23+/m0/s1
• InChIKey: CLTFSOTWKPKTHX-XZOQPEGZSA-N
• XLogP: 6.38
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.48
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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?

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 (CID 71532322) is (2R)-3-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-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?

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 is O[C@H](CN1c2ccccc2N(CC2=CCCCC2)C[C@H]1c1cccc(OC(F)(F)F)c1)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?

The InChIKey is CLTFSOTWKPKTHX-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H26F6N2O2/c26-24(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/h4-7,9-13,22-23,34H,1-3,8,14-16H2/t22-,23+/m0/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-[(2R)-4-(cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 500.48 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 71532322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).