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

C29H24F6N2O2 — CID 71532161

About (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-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 71532161) has the molecular formula C29H24F6N2O2 and a molecular weight of 546.51 g/mol. Its IUPAC name is (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-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 71532161
• Molecular Formula: C29H24F6N2O2
• Molecular Weight: 546.51 g/mol
• Exact Mass: 546.17
• IUPAC Name: (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: O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1cccc2ccccc12)C(F)(F)F
• InChI: InChI=1S/C29H24F6N2O2/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/h1-15,26-27,38H,16-18H2/t26-,27+/m0/s1
• InChIKey: KHXZYTUOJKGFDR-RRPNLBNLSA-N
• XLogP: 7.23
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.51
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (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-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 71532161) is (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-[(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-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is 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-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The InChIKey is KHXZYTUOJKGFDR-RRPNLBNLSA-N. The full InChI is InChI=1S/C29H24F6N2O2/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/h1-15,26-27,38H,16-18H2/t26-,27+/m0/s1.

What are the key properties of (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-[(2R)-2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 546.51 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (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 71532161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).