2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

C13H15F3N2O — CID 115502386

IUPAC2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCOC1CC2CNc3cc(C(F)(F)F)ccc3N2C1
InChIInChI=1S/C13H15F3N2O/c1-19-10-5-9-6-17-11-4-8(13(14,15)16)2-3-12(11)18(9)7-10/h2-4,9-10,17H,5-7H2,1H3
InChIKeyHEFRYVQJGBUPID-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.72
Rot. Bonds1

About 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (PubChem CID 115502386) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
PubChem CID115502386
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCOC1CC2CNc3cc(C(F)(F)F)ccc3N2C1
InChIInChI=1S/C13H15F3N2O/c1-19-10-5-9-6-17-11-4-8(13(14,15)16)2-3-12(11)18(9)7-10/h2-4,9-10,17H,5-7H2,1H3
InChIKeyHEFRYVQJGBUPID-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline with MolForge

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Related Compounds

2-methoxy-7-(trifluoromethyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 115502303
1-cyclopropyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115502363
2-methoxy-6-methylsulfonyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 82007507
2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 113324376
2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 102955751
1-methyl-7-(trifluoromethyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84631098
2,6-bis(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81197834
4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
CID 84637015
3-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 105356315
2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502366
(2R,3aR)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxalin-2-ol
CID 45115777
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CID 115502386) is 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is COC1CC2CNc3cc(C(F)(F)F)ccc3N2C1.
What is the InChIKey of 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The InChIKey is HEFRYVQJGBUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-19-10-5-9-6-17-11-4-8(13(14,15)16)2-3-12(11)18(9)7-10/h2-4,9-10,17H,5-7H2,1H3.
What are the key properties of 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline has a molecular weight of 272.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-(trifluoromethyl)-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 115502386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).