6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

C18H18F3N3 — CID 172543039

IUPAC6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESFC(F)(F)c1ccc(N2CC3CNCCN3c3ccccc32)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)13-5-7-14(8-6-13)24-12-15-11-22-9-10-23(15)16-3-1-2-4-17(16)24/h1-8,15,22H,9-12H2
InChIKeyHDKOIQHAFUSSQQ-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.64
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline

6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (PubChem CID 172543039) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
PubChem CID172543039
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
SMILESFC(F)(F)c1ccc(N2CC3CNCCN3c3ccccc32)cc1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)13-5-7-14(8-6-13)24-12-15-11-22-9-10-23(15)16-3-1-2-4-17(16)24/h1-8,15,22H,9-12H2
InChIKeyHDKOIQHAFUSSQQ-UHFFFAOYSA-N
XLogP3.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline (CID 172543039) is 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is FC(F)(F)c1ccc(N2CC3CNCCN3c3ccccc32)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
The InChIKey is HDKOIQHAFUSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c19-18(20,21)13-5-7-14(8-6-13)24-12-15-11-22-9-10-23(15)16-3-1-2-4-17(16)24/h1-8,15,22H,9-12H2.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline?
6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline has a molecular weight of 333.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline is sourced from PubChem (CID 172543039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).