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

C26H22F8N2O3 — CID 71532271

IUPAC(2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1cccc(OC(F)F)c1)C(F)(F)F
InChIInChI=1S/C26H22F8N2O3/c27-24(28)38-18-7-4-6-17(12-18)22-14-35(13-16-5-3-8-19(11-16)39-26(32,33)34)20-9-1-2-10-21(20)36(22)15-23(37)25(29,30)31/h1-12,22-24,37H,13-15H2/t22-,23+/m0/s1
InChIKeyOJLDVIXFUWLYAU-XZOQPEGZSA-N
MW562.46 g/mol
LogP6.68
Rot. Bonds8

About (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

(2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71532271) has the molecular formula C26H22F8N2O3 and a molecular weight of 562.46 g/mol. Its IUPAC name is (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71532271
Molecular FormulaC26H22F8N2O3
Molecular Weight562.46 g/mol
Exact Mass562.15
IUPAC Name(2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1cccc(OC(F)F)c1)C(F)(F)F
InChIInChI=1S/C26H22F8N2O3/c27-24(28)38-18-7-4-6-17(12-18)22-14-35(13-16-5-3-8-19(11-16)39-26(32,33)34)20-9-1-2-10-21(20)36(22)15-23(37)25(29,30)31/h1-12,22-24,37H,13-15H2/t22-,23+/m0/s1
InChIKeyOJLDVIXFUWLYAU-XZOQPEGZSA-N
XLogP6.68
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.46
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-3-[2-[3,5-bis(trifluoromethyl)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 154488408
3-[2-(2,5-dimethylpyrazol-3-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 78101111
3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 78047384
(2R)-1,1,1-trifluoro-3-[(2R)-4-(thiophen-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 71532007
(2R)-1,1,1-trifluoro-3-[4-(thiophen-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 154488415
1,1,1-trifluoro-3-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzothiazin-4-yl]propan-2-ol
CID 24767889
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1-(3,3,3-trifluoropropyl)-2,3-dihydroquinoxaline
CID 144537667
1,1,1-trifluoro-3-[2-[3-(trifluoromethoxy)phenyl]-2H-quinolin-1-yl]propan-2-ol
CID 143710744
(2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 154488411
(2S)-1,1,1-trifluoro-3-[(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 24767861
1,1,1-trifluoro-3-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 24774923
1,1,1-trifluoro-3-[(2R)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
CID 154983267

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 71532271) is (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1cccc(OC(F)F)c1)C(F)(F)F.
What is the InChIKey of (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OJLDVIXFUWLYAU-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H22F8N2O3/c27-24(28)38-18-7-4-6-17(12-18)22-14-35(13-16-5-3-8-19(11-16)39-26(32,33)34)20-9-1-2-10-21(20)36(22)15-23(37)25(29,30)31/h1-12,22-24,37H,13-15H2/t22-,23+/m0/s1.
What are the key properties of (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
(2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 562.46 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2R)-2-[3-(difluoromethoxy)phenyl]-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71532271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).