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

C26H23F7N2O3 — CID 89418656

IUPAC(2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)F)c2)CC1c1cccc(OC(F)F)c1)C(F)(F)F
InChIInChI=1S/C26H23F7N2O3/c27-24(28)37-18-7-3-5-16(11-18)13-34-14-22(17-6-4-8-19(12-17)38-25(29)30)35(15-23(36)26(31,32)33)21-10-2-1-9-20(21)34/h1-12,22-25,36H,13-15H2/t22?,23-/m1/s1
InChIKeyLXCPROSBMNMJJL-OZAIVSQSSA-N
MW544.47 g/mol
LogP6.38
Rot. Bonds9

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

(2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 89418656) has the molecular formula C26H23F7N2O3 and a molecular weight of 544.47 g/mol. Its IUPAC name is (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID89418656
Molecular FormulaC26H23F7N2O3
Molecular Weight544.47 g/mol
Exact Mass544.16
IUPAC Name(2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)F)c2)CC1c1cccc(OC(F)F)c1)C(F)(F)F
InChIInChI=1S/C26H23F7N2O3/c27-24(28)37-18-7-3-5-16(11-18)13-34-14-22(17-6-4-8-19(12-17)38-25(29)30)35(15-23(36)26(31,32)33)21-10-2-1-9-20(21)34/h1-12,22-25,36H,13-15H2/t22?,23-/m1/s1
InChIKeyLXCPROSBMNMJJL-OZAIVSQSSA-N
XLogP6.38
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.47
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 89418656) is (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)F)c2)CC1c1cccc(OC(F)F)c1)C(F)(F)F.
What is the InChIKey of (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LXCPROSBMNMJJL-OZAIVSQSSA-N. The full InChI is InChI=1S/C26H23F7N2O3/c27-24(28)37-18-7-3-5-16(11-18)13-34-14-22(17-6-4-8-19(12-17)38-25(29)30)35(15-23(36)26(31,32)33)21-10-2-1-9-20(21)34/h1-12,22-25,36H,13-15H2/t22?,23-/m1/s1.
What are the key properties of (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
(2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 544.47 g/mol, XLogP of 6.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-[3-(difluoromethoxy)phenyl]-4-[[3-(difluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 89418656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).