4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline

C13H17F3N2 — CID 84637015

IUPAC4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
SMILESCC(C)C1CN(C)c2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C13H17F3N2/c1-8(2)11-7-18(3)12-5-4-9(13(14,15)16)6-10(12)17-11/h4-6,8,11,17H,7H2,1-3H3
InChIKeyWJRRDEULXDIGOY-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.59
Rot. Bonds1

About 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline

4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 84637015) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID84637015
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
SMILESCC(C)C1CN(C)c2ccc(C(F)(F)F)cc2N1
InChIInChI=1S/C13H17F3N2/c1-8(2)11-7-18(3)12-5-4-9(13(14,15)16)6-10(12)17-11/h4-6,8,11,17H,7H2,1-3H3
InChIKeyWJRRDEULXDIGOY-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502366
3-propan-2-yl-8-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218460
3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-ol
CID 142959193
3-methyl-4-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 115095615
5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543002
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205
5-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098556
5-methoxy-4-methyl-2-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623746
1-methyl-7-(trifluoromethyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84631098
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64925755
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949785

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline (CID 84637015) is 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline is CC(C)C1CN(C)c2ccc(C(F)(F)F)cc2N1.
What is the InChIKey of 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is WJRRDEULXDIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-8(2)11-7-18(3)12-5-4-9(13(14,15)16)6-10(12)17-11/h4-6,8,11,17H,7H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline?
4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 258.29 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 84637015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).