1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline

C17H16F3N3O — CID 141281987

IUPAC1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline
SMILESC[C@H](c1ccc(OCC(F)(F)F)cn1)N1CC=Nc2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-12(23-9-8-21-15-4-2-3-5-16(15)23)14-7-6-13(10-22-14)24-11-17(18,19)20/h2-8,10,12H,9,11H2,1H3/t12-/m1/s1
InChIKeyDCAPHEUBTVFVPH-GFCCVEGCSA-N
MW335.33 g/mol
LogP4.31
Rot. Bonds4

About 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline

1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline (PubChem CID 141281987) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline.

Molecular Properties

Compound Name1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline
PubChem CID141281987
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline
SMILESC[C@H](c1ccc(OCC(F)(F)F)cn1)N1CC=Nc2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-12(23-9-8-21-15-4-2-3-5-16(15)23)14-7-6-13(10-22-14)24-11-17(18,19)20/h2-8,10,12H,9,11H2,1H3/t12-/m1/s1
InChIKeyDCAPHEUBTVFVPH-GFCCVEGCSA-N
XLogP4.31
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline?
The IUPAC name of 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline (CID 141281987) is 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline.
What is the SMILES notation for 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline?
The canonical SMILES for 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline is C[C@H](c1ccc(OCC(F)(F)F)cn1)N1CC=Nc2ccccc21.
What is the InChIKey of 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline?
The InChIKey is DCAPHEUBTVFVPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-12(23-9-8-21-15-4-2-3-5-16(15)23)14-7-6-13(10-22-14)24-11-17(18,19)20/h2-8,10,12H,9,11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline?
1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline has a molecular weight of 335.33 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2H-quinoxaline is sourced from PubChem (CID 141281987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).