2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline

C11H13F3N2O — CID 113324376

IUPAC2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C11H13F3N2O/c1-17-6-8-5-15-10-4-7(11(12,13)14)2-3-9(10)16-8/h2-4,8,15-16H,5-6H2,1H3
InChIKeyAKIUHZFDZWNFND-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.56
Rot. Bonds2

About 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline

2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 113324376) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID113324376
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCOCC1CNc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C11H13F3N2O/c1-17-6-8-5-15-10-4-7(11(12,13)14)2-3-9(10)16-8/h2-4,8,15-16H,5-6H2,1H3
InChIKeyAKIUHZFDZWNFND-UHFFFAOYSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylsulfanylethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502367
2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502366
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2S,4S)-2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]acetamide
CID 90707514
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
(2S)-2-ethyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 67764160
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
3-(2-methylpropyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218544
3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106985958
N-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 117202732
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 105356315

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline (CID 113324376) is 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline is COCC1CNc2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is AKIUHZFDZWNFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-17-6-8-5-15-10-4-7(11(12,13)14)2-3-9(10)16-8/h2-4,8,15-16H,5-6H2,1H3.
What are the key properties of 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 246.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 113324376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).