4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline

C13H17F3N2 — CID 115095110

IUPAC4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline
SMILESCCN1CC(C)(C)Nc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H17F3N2/c1-4-18-8-12(2,3)17-10-7-5-6-9(11(10)18)13(14,15)16/h5-7,17H,4,8H2,1-3H3
InChIKeyCIPJDTHGXWRXCS-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.74
Rot. Bonds1

About 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline

4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline (PubChem CID 115095110) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline
PubChem CID115095110
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline
SMILESCCN1CC(C)(C)Nc2cccc(C(F)(F)F)c21
InChIInChI=1S/C13H17F3N2/c1-4-18-8-12(2,3)17-10-7-5-6-9(11(10)18)13(14,15)16/h5-7,17H,4,8H2,1-3H3
InChIKeyCIPJDTHGXWRXCS-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol
CID 117235999
4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
CID 115095246
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
CID 115096893
5-ethyl-2,2-dimethyl-4-methylsulfonyl-1,3-dihydroquinoxaline
CID 84640812
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097937
1-ethyl-3,3,9-trimethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82242031
tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
CID 84645694
5-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098284
1-ethyl-4,4-dimethylimidazolidin-2-one;molecular hydrogen
CID 142810063
2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
3,3-dimethyl-6-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115098409
3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole
CID 106701959

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline?
The IUPAC name of 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline (CID 115095110) is 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline?
The canonical SMILES for 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline is CCN1CC(C)(C)Nc2cccc(C(F)(F)F)c21.
What is the InChIKey of 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline?
The InChIKey is CIPJDTHGXWRXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-4-18-8-12(2,3)17-10-7-5-6-9(11(10)18)13(14,15)16/h5-7,17H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline?
4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline has a molecular weight of 258.29 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline is sourced from PubChem (CID 115095110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).