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

C26H24F6N2O2 — CID 71532159

IUPAC(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESCc1ccc([C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C26H24F6N2O2/c1-17-9-11-19(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/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1
InChIKeyFAUHPFRRUFIUOA-BJKOFHAPSA-N
MW510.48 g/mol
LogP6.38
Rot. Bonds6

About (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-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 71532159) has the molecular formula C26H24F6N2O2 and a molecular weight of 510.48 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-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-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
PubChem CID71532159
Molecular FormulaC26H24F6N2O2
Molecular Weight510.48 g/mol
Exact Mass510.17
IUPAC Name(2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESCc1ccc([C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C26H24F6N2O2/c1-17-9-11-19(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/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1
InChIKeyFAUHPFRRUFIUOA-BJKOFHAPSA-N
XLogP6.38
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.48
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-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-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 71532159) is (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is Cc1ccc([C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)c3ccccc3N2C[C@@H](O)C(F)(F)F)cc1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The InChIKey is FAUHPFRRUFIUOA-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H24F6N2O2/c1-17-9-11-19(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/h2-13,23-24,35H,14-16H2,1H3/t23-,24+/m0/s1.
What are the key properties of (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-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 510.48 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)-1,1,1-trifluoro-3-[(2R)-2-(4-methylphenyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 71532159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).