(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C26H20F10N2O — CID 71532055

IUPAC(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESO[C@H](CN1c2ccccc2N(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C26H20F10N2O/c27-19-9-15(8-18(11-19)25(31,32)33)12-37-13-22(16-4-3-5-17(10-16)24(28,29)30)38(14-23(39)26(34,35)36)21-7-2-1-6-20(21)37/h1-11,22-23,39H,12-14H2/t22-,23+/m0/s1
InChIKeyCIUYXIVKRNLNQY-XZOQPEGZSA-N
MW566.44 g/mol
LogP7.35
Rot. Bonds5

About (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 71532055) has the molecular formula C26H20F10N2O and a molecular weight of 566.44 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
PubChem CID71532055
Molecular FormulaC26H20F10N2O
Molecular Weight566.44 g/mol
Exact Mass566.14
IUPAC Name(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESO[C@H](CN1c2ccccc2N(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C26H20F10N2O/c27-19-9-15(8-18(11-19)25(31,32)33)12-37-13-22(16-4-3-5-17(10-16)24(28,29)30)38(14-23(39)26(34,35)36)21-7-2-1-6-20(21)37/h1-11,22-23,39H,12-14H2/t22-,23+/m0/s1
InChIKeyCIUYXIVKRNLNQY-XZOQPEGZSA-N
XLogP7.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.44
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-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)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 71532055) is (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is O[C@H](CN1c2ccccc2N(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The InChIKey is CIUYXIVKRNLNQY-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H20F10N2O/c27-19-9-15(8-18(11-19)25(31,32)33)12-37-13-22(16-4-3-5-17(10-16)24(28,29)30)38(14-23(39)26(34,35)36)21-7-2-1-6-20(21)37/h1-11,22-23,39H,12-14H2/t22-,23+/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 566.44 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 71532055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).